Chemical Compound

J3.395.063B

J3.395.063B chemical structure
Primary Record

J3.395.063B

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
102600070
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@H](CC(=O)N)SCC1=CC=CC=C1[N+](=O)[O-])C(C)C)NC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)C[C@@H]([C@H](C(C)C)NC(=O)C)SCC3=CC=CC=C3[N+](=O)[O-]
Canonical SMILES
CC(=O)N[C@@H](C(C)C)[C@H](CC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)[C@H](CC(N)=O)SCc1ccccc1[N+](=O)[O-])C(C)C)SCc1ccccc1[N+](=O)[O-]

Names & Synonyms

  • J3.395.063B
  • (3S,4S)-3-(2-Nitrobenzylthio)-4-[N2-[(3S,4S)-3-(2-nitrobenzylthio)-4-(acetylamino)-5-methylhexanoyl]-Lys-Val-D-Pro-Gly-Leu-Lys-amino]-5-methylhexanamide
  • (3S,4S)-N-[(1S)-5-amino-1-{[(2S)-1-[(2R)-2-[({[(1S)-1-{[(1S)-5-amino-1-{[(2S,3S)-1-carbamoyl-4-methyl-2-{[(2-nitrophenyl)methyl]sulfanyl}pentan-3-yl]carbamoyl}pentyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}pentyl]-4-acetamido-5-methyl-3-{[(2-nitrophenyl)methyl]sulfanyl}hexanamide