Dermaseptin-S1 , CAS No.136033-70-0

CAS: 136033-70-0 Cat. No.: D1421185 PubChem CID: 16130489

Storage

Desiccated,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Dermaseptin-S1 is an antimicrobial peptide derived from frog skin against filamentous fungi.

Specifications

Storage

Desiccated, Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: CCC(C)C(C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NC(C(C)O)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(C(C)O)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(CCSC)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC(C)C)NC(=O)C(C)N
• IUPAC Name: (2S)-5-amino-2-[[(2S,3R)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid
• InChIKey: YFHLIDBAPTWLGU-CTKMSOPVSA-N
• INCHI: 1S/C152H257N43O44S2/c1-27-77(12)118(147(233)190-110(70-196)146(232)178-98(44-46-111(158)201)131(217)163-68-115(205)192-120(87(22)198)149(235)181-101(152(238)239)45-47-112(159)202)193-151(237)122(89(24)200)195-145(231)109(63-117(207)208)185-129(215)84(19)169-126(212)81(16)168-125(211)80(15)167-113(203)66-164-132(218)102(56-72(2)3)183-128(214)83(18)170-127(213)82(17)172-134(220)94(40-30-34-50-153)174-114(204)67-162-124(210)79(14)171-140(226)108(62-91-65-160-71-166-91)189-143(229)105(59-75(8)9)184-130(216)85(20)173-135(221)99(48-54-240-25)179-148(234)119(86(21)197)191-116(206)69-165-133(219)103(57-73(4)5)186-137(223)96(42-32-36-52-155)175-136(222)95(41-31-35-51-154)176-141(227)106(60-76(10)11)187-138(224)100(49-55-241-26)180-150(236)121(88(23)199)194-139(225)97(43-33-37-53-156)177-144(230)107(61-90-64-161-93-39-29-28-38-92(90)93)188-142(228)104(58-74(6)7)182-123(209)78(13)157/h28-29,38-39,64-65,71-89,94-110,118-122,161,196-200H,27,30-37,40-63,66-70,153-157H2,1-26H3,(H2,158,201)(H2,159,202)(H,160,166)(H,162,210)(H,163,217)(H,164,218)(H,165,219)(H,167,203)(H,168,211)(H,169,212)(H,170,213)(H,171,226)(H,172,220)(H,173,221)(H,174,204)(H,175,222)(H,176,227)(H,177,230)(H,178,232)(H,179,234)(H,180,236)(H,181,235)(H,182,209)(H,183,214)(H,184,216)(H,185,215)(H,186,223)(H,187,224)(H,188,228)(H,189,229)(H,190,233)(H,191,206)(H,192,205)(H,193,237)(H,194,225)(H,195,231)(H,207,208)(H,238,239)/t77-,78-,79-,80-,81-,82-,83-,84-,85-,86+,87+,88+,89+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,118-,119-,120-,121-,122-/m0/s1
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N
• Alternate CAS: 136212-91-4
• PubChem CID: 16130489
• MeSH Entry Terms: dermaseptin;dermaseptin DS 01;dermaseptin s;dermaseptin S3(1-16)

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic Polymers
    • Class Polypeptides

• Kingdom: Organic compounds
• Superclass: Organic Polymers
• Class: Polypeptides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Polypeptides
• Alternative Parents: Peptides Histidine and derivatives Glutamine and derivatives Aspartic acid and derivatives Isoleucine and derivatives Leucine and derivatives Methionine and derivatives Tryptamines and derivatives Serine and derivatives Alpha amino acid amides N-acyl-L-glutamines Alanine and derivatives 3-alkylindoles Imidazolyl carboxylic acids and derivatives Benzenoids Dicarboxylic acids and derivatives Substituted pyrroles N-acyl amines Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Primary carboxylic acid amides Amino acids Sulfenyl compounds Azacyclic compounds Dialkylthioethers Carboxylic acids Hydrocarbon derivatives Primary alcohols Organic oxides Carbonyl compounds Monoalkylamines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Polypeptide - Alpha peptide - Histidine or derivatives - Glutamine or derivatives - Methionine or derivatives - Aspartic acid or derivatives - Leucine or derivatives - Isoleucine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - Serine or derivatives - Alpha-amino acid amide - N-acyl-l-glutamine - Triptan - Alanine or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - 3-alkylindole - Indole - Indole or derivatives - Imidazolyl carboxylic acid derivative - Benzenoid - Substituted pyrrole - N-acyl-amine - Fatty acyl - Fatty amide - Dicarboxylic acid or derivatives - Azole - Imidazole - Heteroaromatic compound - Pyrrole - Secondary alcohol - Secondary carboxylic acid amide - Primary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Amino acid - Thioether - Sulfenyl compound - Dialkylthioether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Carboxylic acid - Primary alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Primary aliphatic amine - Organonitrogen compound - Carbonyl group - Alcohol - Organooxygen compound - Amine - Primary amine - Organosulfur compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y