Chemical Compound

J3.379.547E

J3.379.547E chemical structure
Primary Record

J3.379.547E

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
101903314
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CSCCS(=O)(=O)CCOCCOCC1=CN(N=N1)C2=CC3=C(C=C(C=C3)N(CC)CC)OC2=O)C(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)N
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CSCCS(=O)(=O)CCOCCOCc1cn(-c2cc3ccc(N(CC)CC)cc3oc2=O)nn1)C(=O)O

Names & Synonyms

  • J3.379.547E
  • (3S)-3-{[(1S,2R)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S,2S)-1-{[(1R)-1-carboxy-2-[(2-{2-[2-({1-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]-1H-1,2,3-triazol-4-yl}methoxy)ethoxy]ethanesulfonyl}ethyl)sulfanyl]ethyl]carbamoyl}-2-methylbutyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-3-{2-[(2S)-2,6-diaminohexanamido]acetamido}propanoic acid
  • L-Lys-Gly-L-Asp-L-Thr-L-His-L-Phe-L-Pro-L-Ile-S-[2-[[2-[2-[[1-[2-Oxo-7-(diethylamino)-2H-1-benzopyran-3-yl]-1H-1,2,3-triazole-4-yl]methoxy]ethoxy]ethyl]sulfonyl]ethyl]-L-Cys-OH