Chemical Compound

CHEMBL407482

CHEMBL407482 chemical structure
Primary Record

CHEMBL407482

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
44317175
SMILES
CCCCNC(=NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@@H]5CCC(=O)N5)NC#N
Canonical SMILES
CCCCNC(=NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O)NC#N

Names & Synonyms

  • CHEMBL407482
  • BDBM50007951
  • J424.148G
  • pGlu-His-DPal-Ser-Tyr-DArg-Leu-Har(bCN)-Pro-DAla-NH2
  • (2S)-N-[(2S)-6-(N''-butyl-N'-cyanocarbamimidamido)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]-2-[(2R)-5-carbamimidamido-2-[(2S)-2-[(2S)-3-hydroxy-2-[(2R)-2-[(2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]-3-(pyridin-3-yl)propanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]pentanamido]-4-methylpentanamide
  • L-pGlu-L-His-3-(3-Pyridyl)-D-Ala-L-Ser-L-Tyr-D-Arg-L-Leu-N6-[cyanoamino(butylimino)methyl]-L-Lys-L-Pro-D-Ala-NH2