Chemical Compound

J3.327.139E

J3.327.139E chemical structure
Primary Record

J3.327.139E

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
102366863
SMILES
CCC(=O)CSC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)N
Canonical SMILES
CCC(=O)CSC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(C)C

Names & Synonyms

  • J3.327.139E
  • (S)-2-(Trp-Thr-Pro-Glu-Val-Lys-His-Amino)-3-phenylpropanethioic acid S-(2-oxobutyl) ester
  • (4S)-4-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-2-(1H-imidazol-4-yl)-1-{[(2S)-1-oxo-1-[(2-oxobutyl)sulfanyl]-3-phenylpropan-2-yl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}-2-methylpropyl]carbamoyl}-4-{[(2S)-1-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}butanoic acid