Chemical Compound

J1.805.489B

J1.805.489B chemical structure
Primary Record

J1.805.489B

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177622607
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OP(=O)(O)OC(C)C2=CC=CC=C2[N+](=O)[O-])C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CC5=CNC=N5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)C
Canonical SMILES
CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(OP(=O)(O)OC(C)c2ccccc2[N+](=O)[O-])cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C

Names & Synonyms

  • J1.805.489B
  • (4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}pentyl]carbamoyl}-2-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-[4-({hydroxy[1-(2-nitrophenyl)ethoxy]phosphoryl}oxy)phenyl]ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-3-carboxypropyl]carbamoyl}-4-[(2S)-4-carboxy-2-acetamidobutanamido]butanoic acid
  • Ac-L-Glu-L-Glu-L-Glu-L-His-L-Val-[4-[[1-(2-Nitrophenyl)ethoxy]phosphonyloxy]-L-Phe-]-L-Ser-L-Phe-L-Pro-L-Asn-L-Lys-L-Gln-L-Lys-NH2