10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| パブケム・シド | 528768567 |
|---|---|
| カノニカル・スマイル | CCCCCCCCCCCCCC(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)O |
| IUPAC Name | (2S)-2-[[(2S)-6-amino-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[2-[[(2S)-5-carbamimidamido-2-[[(2S)-5-carbamimidamido-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S,3S)-2-[[(2S)-3-hydroxy-2-(tetradecanoylamino)propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]acetyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanoyl]amino]hexanoyl]amino]-4-methylpentanoic acid |
| InChIKey | CRKARHQCXWSUMV-HOHDCHNJSA-N |
| INCHI | 1S/C90H154N30O17/c1-7-9-10-11-12-13-14-15-16-17-18-36-71(123)110-70(52-121)83(134)120-73(54(5)8-2)84(135)118-67(48-56-37-39-58(122)40-38-56)81(132)115-64(33-25-44-104-88(96)97)77(128)112-61(31-23-42-102-86(92)93)75(126)108-51-72(124)109-55(6)74(125)111-63(32-24-43-103-87(94)95)76(127)114-66(35-27-46-106-90(100)101)79(130)117-68(49-57-50-107-60-29-20-19-28-59(57)60)82(133)116-65(34-26-45-105-89(98)99)78(129)113-62(30-21-22-41-91)80(131)119-69(85(136)137)47-53(3)4/h19-20,28-29,37-40,50,53-55,61-70,73,107,121-122H,7-18,21-27,30-36,41-49,51-52,91H2,1-6H3,(H,108,126)(H,109,124)(H,110,123)(H,111,125)(H,112,128)(H,113,129)(H,114,127)(H,115,132)(H,116,133)(H,117,130)(H,118,135)(H,119,131)(H,120,134)(H,136,137)(H4,92,93,102)(H4,94,95,103)(H4,96,97,104)(H4,98,99,105)(H4,100,101,106)/t54-,55-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,73-/m0/s1 |
| 異性体SMILES | CCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O |
| PubChem CID | 16156119 |
| 分子量 | 2042.40 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic Polymers |
| 分類 | Polypeptides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Polypeptides |
| Alternative Parents | Peptides Tyrosine and derivatives Arginine and derivatives Phenylalanine and derivatives Isoleucine and derivatives Leucine and derivatives N-acyl-L-alpha-amino acids Serine and derivatives Alpha amino acid amides Tryptamines and derivatives Alanine and derivatives Amphetamines and derivatives 3-alkylindoles 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles N-acyl amines Heteroaromatic compounds Secondary carboxylic acid amides Guanidines Amino acids Carboxylic acids Carboximidamides Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Imines Monoalkylamines Organic oxides Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Polypeptide - Alpha peptide - Tyrosine or derivatives - Arginine or derivatives - Phenylalanine 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 - Triptan - Alanine or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Amphetamine or derivatives - 3-alkylindole - Indole or derivatives - Indole - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - N-acyl-amine - Monocyclic benzene moiety - Substituted pyrrole - Fatty acyl - Fatty amide - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Guanidine - Carboxylic acid derivative - Carboxylic acid - Carboximidamide - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Alcohol - Primary amine - Primary alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Imine - Organic oxide - Amine - Primary aliphatic amine - Organooxygen compound - Aromatic heteropolycyclic compound |
| 説明 | 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 |
| 分子量 | 1928.400 g/mol |
|---|---|
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 33 |
| Hydrogen Bond Acceptor Count | 23 |
| Rotatable Bond Count | 76 |
| Exact Mass | 1927.21 Da |
| Monoisotopic Mass | 1927.21 Da |
| Topological Polar Surface Area | 807.000 Ų |
| Heavy Atom Count | 137 |
| Formal Charge | 0 |
| Complexity | 3810.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 13 |
| 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 |
