Bovine adrenal medulla dodecapeptide - ≥97%(HPLC) , CAS No.75513-71-2

CAS: 75513-71-2 Cat. No.: B118770 Molecular Weight: 1424.63 PubChem CID: 25077551

GRADE & PURITY ≥97%(HPLC)

Synonyms

Bam 12P | Enkephalin-met, arginyl(6,7)-valyl(8)-glycyl(9)-arginyl(10)-prolyl(11)-glu(12)- | EX-A7440 | (2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)- 2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl] amino]acetyl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Bam 12P | Enkephalin-met, arginyl(6, 7)-valyl(8)-glycyl(9)-arginyl(10)-prolyl(11)-glu(12)- | EX-A7440 | (2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)- 2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl] amino]acetyl

Specifications & Purity

≥97%(HPLC)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥97%(HPLC)

Names and Identifiers

• Canonical Smiles: CC(C)C(C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCSC)NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)C(CC3=CC=C(C=C3)O)N
• IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid
• InChIKey: LNSYPNFYYCUMEW-ALRMXQJESA-N
• INCHI: 1S/C62H97N21O16S/c1-34(2)50(57(96)75-33-48(87)76-42(15-9-26-72-62(68)69)58(97)83-27-10-16-45(83)56(95)81-43(59(98)99)21-22-49(88)89)82-54(93)40(14-8-25-71-61(66)67)79-52(91)39(13-7-24-70-60(64)65)78-53(92)41(23-28-100-3)80-55(94)44(30-35-11-5-4-6-12-35)77-47(86)32-73-46(85)31-74-51(90)38(63)29-36-17-19-37(84)20-18-36/h4-6,11-12,17-20,34,38-45,50,84H,7-10,13-16,21-33,63H2,1-3H3,(H,73,85)(H,74,90)(H,75,96)(H,76,87)(H,77,86)(H,78,92)(H,79,91)(H,80,94)(H,81,95)(H,82,93)(H,88,89)(H,98,99)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)/t38-,39-,40-,41-,42-,43-,44-,45-,50-/m0/s1
• Isomeric SMILES: CC(C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)[C@H](CC3=CC=C(C=C3)O)N
• WGK Germany: 3
• PubChem CID: 25077551
• Molecular Weight: 1424.63

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 Tyrosine and derivatives Phenylalanine and derivatives Glutamic acid and derivatives Methionine and derivatives Valine and derivatives N-acyl-L-alpha-amino acids Proline and derivatives Alpha amino acid amides Amphetamines and derivatives N-acylpyrrolidines Pyrrolidinecarboxamides 1-hydroxy-2-unsubstituted benzenoids Aralkylamines N-acyl amines Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Amino acids Secondary carboxylic acid amides Guanidines Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Dialkylthioethers Carboxylic acids Carbonyl compounds Monoalkylamines Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polypeptide - Alpha peptide - Tyrosine or derivatives - Phenylalanine or derivatives - Glutamic acid or derivatives - Methionine or derivatives - Proline or derivatives - Valine or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - N-acylpyrrolidine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - N-acyl-amine - Fatty amide - Fatty acyl - Pyrrolidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Thioether - Carboximidamide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Primary amine - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Amine - Primary aliphatic amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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

Chemical and Physical Properties

• Molecular Weight: 1424.600 g/mol
• XLogP3: -6.400
• Hydrogen Bond Donor Count: 20
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 45
• Exact Mass: 1423.71 Da
• Monoisotopic Mass: 1423.71 Da
• Topological Polar Surface Area: 651.000 Ų
• Heavy Atom Count: 100
• Formal Charge: 0
• Complexity: 2830.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1