(2S)-2-[[2-[[4-[[[(2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]methyl]cyclohexyl]carbonylamino]-2-methyl-propanoyl]amino]-3-(4-nitrophenyl)propanoic acid

Systemtic Name: (2S)-2-[[2-[[4-[[[(2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]methyl]cyclohexyl]carbonylamino]-2-methyl-propanoyl]amino]-3-(4-nitrophenyl)propanoic acid Openeye Name: (2S)-2-[[2-[[4-[[[(2S)-2-(benzyloxycarbonylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]methyl]cyclohexanecarbonyl]amino]-2-methyl-propanoyl]amino]-3-(4-nitrophenyl)propanoic acid CAS Name: (2S)-2-[[2-[[[4-[[[(2S)-3-(1H-imidazol-5-yl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]methyl]cyclohexyl]-oxomethyl]amino]-2-methyl-1-oxopropyl]amino]-3-(4-nitrophenyl)propanoic acid IUPAC Name: (2S)-2-[[2-[[4-[[[(2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]methyl]cyclohexanecarbonyl]amino]-2-methylpropanoyl]amino]-3-(4-nitrophenyl)propanoic acid Traditional Name: (2S)-2-[[2-[[4-[[[(2S)-2-(benzyloxycarbonylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]methyl]cyclohexanecarbonyl]amino]-2-methyl-propanoyl]amino]-3-(4-nitrophenyl)propionic acid Formula: C35H43N7O9 MolecularWeight: 705.75742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O)NC(=O)C2CCC(CC2)CNC(=O)C(CC3=CN=CN3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C(=O)N[C@@H](CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O)NC(=O)C2CCC(CC2)CNC(=O)[C@H](CC3=CN=CN3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C35H43N7O9/c1-35(2,33(47)39-29(32(45)46)16-22-10-14-27(15-11-22)42(49)50)41-30(43)25-12-8-23(9-13-25)18-37-31(44)28(17-26-19-36-21-38-26)40-34(48)51-20-24-6-4-3-5-7-24/h3-7,10-11,14-15,19,21,23,25,28-29H,8-9,12-13,16-18,20H2,1-2H3,(H,36,38)(H,37,44)(H,39,47)(H,40,48)(H,41,43)(H,45,46)/t23?,25?,28-,29-/m0/s1