3-[[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-azanyl-2-benzamido-butanoyl]amino]propanoyl]amino]-3-oxidanyl-butanoyl]amino]methyl]-N-[(2S)-1-azanyl-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: 3-[[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-azanyl-2-benzamido-butanoyl]amino]propanoyl]amino]-3-oxidanyl-butanoyl]amino]methyl]-N-[(2S)-1-azanyl-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: 3-[[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-benzamido-butanoyl]amino]propanoyl]amino]-3-hydroxy-butanoyl]amino]methyl]-N-[(1S)-2-amino-1-[(4-nitrophenyl)methyl]-2-oxo-ethyl]benzamide CAS Name: 3-[[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-benzamido-1-oxobutyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]methyl]-N-[(2S)-1-amino-3-(4-nitrophenyl)-1-oxopropan-2-yl]benzamide IUPAC Name: 3-[[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-benzamidobutanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]methyl]-N-[(2S)-1-amino-3-(4-nitrophenyl)-1-oxopropan-2-yl]benzamide Traditional Name: 3-[[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-benzamido-butanoyl]amino]propanoyl]amino]-3-hydroxy-butanoyl]amino]methyl]-N-[(1S)-2-amino-2-keto-1-(4-nitrobenzyl)ethyl]benzamide Formula: C35H42N8O9 MolecularWeight: 718.75618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NCC1=CC=CC(=C1)C(=O)NC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N)NC(=O)C(C)NC(=O)C(CCN)NC(=O)C3=CC=CC=C3)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)NCC1=CC=CC(=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCN)NC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C35H42N8O9/c1-20(39-34(49)27(15-16-36)40-32(47)24-8-4-3-5-9-24)31(46)42-29(21(2)44)35(50)38-19-23-7-6-10-25(17-23)33(48)41-28(30(37)45)18-22-11-13-26(14-12-22)43(51)52/h3-14,17,20-21,27-29,44H,15-16,18-19,36H2,1-2H3,(H2,37,45)(H,38,50)(H,39,49)(H,40,47)(H,41,48)(H,42,46)/t20-,21+,27-,28-,29-/m0/s1