Chemical Compound

SCHEMBL4586

CAS Registry Number 53714-56-0
SCHEMBL4586 chemical structure
Primary Record

SCHEMBL4586

In stock
5,296 g
Purity
99.3 %
CAS
53714-56-0

Compound Identifiers & Properties

CAS
53714-56-0
PubChem CID
57006608
SMILES
CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC2=CC=C(C=C2)O)NC(=O)[C@@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H]6CCC(=O)N6
Canonical SMILES
CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCC(=O)N1

Names & Synonyms

  • SCHEMBL4586
  • (2S)-1-[(2R)-5-carbamimidamido-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-3-hydroxy-2-[(2S)-2-[(2S)-3-(1H-imidazol-4-yl)-2-{[(2R)-5-oxopyrrolidin-2-yl]formamido}propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-4-methylpentanamido]pentanoyl]-N-ethylpyrrolidine-2-carboxamide
  • 53714-56-0