Chemical Compound

J442.959A

J442.959A chemical structure
Primary Record

J442.959A

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177561746
SMILES
CC(C)C1C(=O)NC(C(=O)N[C@@H](CSSC2(CCCCC2)CC(=O)NC(C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)CC4=CC=C(C=C4)N=[N+]=[N-])C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC6=CC=C(C=C6)O)C(=O)N)CC(=O)N
Canonical SMILES
CC(C)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2ccc(N=[N+]=[N-])cc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)C(CC(N)=O)NC1=O

Names & Synonyms

  • J442.959A
  • (2S)-6-amino-2-{[(2S)-1-[(10R,13S,16S,19S,22S)-22-[(4-azidophenyl)methyl]-19-benzyl-13-(carbamoylmethyl)-12,15,18,21,24-pentaoxo-16-(propan-2-yl)-7,8-dithia-11,14,17,20,23-pentaazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidin-2-yl]formamido}-N-[(1R)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]hexanamide
  • 1-Mercapto(1)cyclohexylacetyl-4-azido-L-Phe-L-Phe-L-Val-L-Asn-L-Cys(1)-L-Pro-L-Lys-D-Tyr-NH2