Chemical Compound

J3.379.110K

J3.379.110K chemical structure
Primary Record

J3.379.110K

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177608295
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC=N1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CNC=N4)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC5=CNC=N5)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCNC6=C(C=C(C=C6)[N+](=O)[O-])[N+](=O)[O-])C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N)NC(=O)C7=CC=CC=C7NC
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)c1ccccc1NC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O)[C@@H](C)CC)C(C)C

Names & Synonyms

  • J3.379.110K
  • (2S)-N-[(1R)-4-carbamimidamido-1-{[(1R)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]-6-[(2,4-dinitrophenyl)amino]-2-[(2S,3R)-3-hydroxy-2-[(2S)-3-(1H-imidazol-4-yl)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-3-(1H-imidazol-4-yl)-2-[(2S)-2-{[(2S)-1-[(2S)-3-(1H-imidazol-4-yl)-2-[(2S,3S)-3-methyl-2-{[2-(methylamino)phenyl]formamido}pentanamido]propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]propanamido]-4-methylpentanamido]-3-methylbutanamido]-3-methylpentanamido]propanamido]butanamido]hexanamide
  • 2-(Methylamino)benzoyl-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Nepsilon-(2,4-dinitrophenyl)Lys-D-Arg-D-Arg-NH2