Chemical Compound

J3.400.672E

J3.400.672E chemical structure
Primary Record

J3.400.672E

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177569675
SMILES
CC[C@@H](C)[C@@H](C(=O)N[C@H]1[C@H](OC(=O)C(N(C(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](CCN2C(=O)[C@H](NC(=O)[C@H](NC1=O)CC3=CC=C(C=C3)OC)C(C)C)O)CC(C)C)C)C(C)C)C)NC=O
Canonical SMILES
CC[C@@H](C)[C@H](NC=O)C(=O)N[C@@H]1C(=O)N[C@H](Cc2ccc(OC)cc2)C(=O)N[C@H](C(C)C)C(=O)N2CC[C@@H](O)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N(C)C(C(C)C)C(=O)O[C@@H]1C

Names & Synonyms

  • J3.400.672E
  • (2S,3R)-N-[(3S,6S,9R,10S,13R,16R,21R,22aS)-21-hydroxy-13-[(4-methoxyphenyl)methyl]-5,9-dimethyl-3-(2-methylpropyl)-1,4,7,11,14,17-hexaoxo-6,16-bis(propan-2-yl)-icosahydro-1H-pyrido[2,1-i]1-oxa-4,7,10,13,16-pentaazacyclononadecan-10-yl]-2-formamido-3-methylpentanamide
  • N-(N-Formyl-L-alloisoleucyl)cyclo[L-Thr*-O-methyl-D-Tyr-D-Val-[(4R)-4-hydroxy-L-Pip-]-L-Leu-N-methyl-L-Val-]