Chemical Compound

J459.827J

J459.827J chemical structure
Primary Record

J459.827J

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177541976
SMILES
C[C@@H](C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)C2CSSC(CC(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)OC)(C)C
Canonical SMILES
COc1ccc(CC2NC(=O)CC(C)(C)SSCC(C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)C(Cc3ccccc3)NC2=O)cc1

Names & Synonyms

  • J459.827J
  • (2S)-2-{[(2S)-1-[(4R,7S,10S,13S,16S)-13-benzyl-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-16-[(4-methoxyphenyl)methyl]-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-5-carbamimidamido-N-[(1S)-1-carbamoylethyl]pentanamide
  • N-[3-Methyl-3-mercapto(1)butyryl]-O-methyl-L-Tyr-L-Phe-L-Gln-L-Asn-L-Cys(1)-L-Pro-L-Arg-L-Ala-NH2