Chemical Compound

J3.514.311D

J3.514.311D chemical structure
Primary Record

J3.514.311D

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177537809
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)OP(=O)(O)O[C@H]3C[C@](O[C@@H]3CO)(N4C=CC(=C4)[N+](=O)[O-])O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)C
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OP(=O)(O)O[C@H]2C[C@@](O)(n3ccc([N+](=O)[O-])c3)O[C@@H]2CO)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(C)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O

Names & Synonyms

  • J3.514.311D
  • (3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3R)-2-{2-[(2S)-2-[(2R)-2-acetamido-3-sulfanylpropanamido]-4-methylpentanamido]acetamido}-3-hydroxybutanamido]-3-hydroxypropanamido]hexanamido]-4-methylpentanamido]-3-carbamoylpropanamido]-3-(4-{[hydroxy({[(2R,3S,5S)-5-hydroxy-2-(hydroxymethyl)-5-(3-nitro-1H-pyrrol-1-yl)oxolan-3-yl]oxy})phosphoryl]oxy}phenyl)propanamido]-4-methylpentanamido]-4-[(2S)-2-{[(1S)-4-carbamimidamido-1-{[(1S,2S)-1-{[(1S,2R)-1-{[(1S)-1-carbamoyl-2-methylpropyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-methylbutyl]carbamoyl}butyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid
  • Ac-Cys-Leu-Gly-Thr-Ser-Lys-Leu-Asn-[4-[[1-(3-Nitro-1H-pyrrole-1-yl)-2-deoxy-beta-D-ribofuranose-3-O-yl]phosphonyloxy]-Phe-]-Leu-Asp-Pro-Arg-Ile-Thr-Val-NH2 ester