Chemical Compound

J523.046B

J523.046B chemical structure
Primary Record

J523.046B

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
101641476
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC1=CC=CC=N1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)N)O
Canonical SMILES
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CSSc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O

Names & Synonyms

  • J523.046B
  • (4S)-4-amino-4-{[(2S)-6-amino-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-{[(1R)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-(pyridin-2-yldisulfanyl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}butanoic acid
  • L-Glu-L-Lys-L-Pro-L-Leu-L-Gln-L-Asn-L-Phe-L-Thr-L-Leu-S-(2-Pyridinylthio)-L-Cys-L-Phe-L-Arg-OH