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

Systemtic Name: 4-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-azanyl-2-benzamido-butanoyl]amino]propanoyl]amino]-3-oxidanyl-butanoyl]amino]-N-[(2S)-1-azanyl-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: 4-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-benzamido-butanoyl]amino]propanoyl]amino]-3-hydroxy-butanoyl]amino]-N-[(1S)-2-amino-1-[(4-nitrophenyl)methyl]-2-oxo-ethyl]benzamide CAS Name: 4-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-benzamido-1-oxobutyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-N-[(2S)-1-amino-3-(4-nitrophenyl)-1-oxopropan-2-yl]benzamide IUPAC Name: 4-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-benzamidobutanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-N-[(2S)-1-amino-3-(4-nitrophenyl)-1-oxopropan-2-yl]benzamide Traditional Name: 4-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-benzamido-butanoyl]amino]propanoyl]amino]-3-hydroxy-butanoyl]amino]-N-[(1S)-2-amino-2-keto-1-(4-nitrobenzyl)ethyl]benzamide Formula: C34H40N8O9 MolecularWeight: 704.7296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC1=CC=C(C=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)NC1=CC=C(C=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/C34H40N8O9/c1-19(37-33(48)26(16-17-35)39-31(46)22-6-4-3-5-7-22)30(45)41-28(20(2)43)34(49)38-24-12-10-23(11-13-24)32(47)40-27(29(36)44)18-21-8-14-25(15-9-21)42(50)51/h3-15,19-20,26-28,43H,16-18,35H2,1-2H3,(H2,36,44)(H,37,48)(H,38,49)(H,39,46)(H,40,47)(H,41,45)/t19-,20+,26-,27-,28-/m0/s1