(phenylmethyl) 4-azanyl-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-[5-(4-nitrophenyl)-3-oxidanyl-pentanoyl]amino]pentanoate

Systemtic Name: (phenylmethyl) 4-azanyl-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-[5-(4-nitrophenyl)-3-oxidanyl-pentanoyl]amino]pentanoate Openeye Name: benzyl 4-amino-2-[tert-butoxycarbonyl-[3-hydroxy-5-(4-nitrophenyl)pentanoyl]amino]-4-methyl-pentanoate CAS Name: 4-amino-2-[[3-hydroxy-5-(4-nitrophenyl)-1-oxopentyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-amino-2-[[3-hydroxy-5-(4-nitrophenyl)pentanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpentanoate Traditional Name: 4-amino-2-[tert-butoxycarbonyl-[3-hydroxy-5-(4-nitrophenyl)pentanoyl]amino]-4-methyl-valeric acid benzyl ester Formula: C29H39N3O8 MolecularWeight: 557.63526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C(CC(C)(C)N)C(=O)OCC1=CC=CC=C1)C(=O)CC(CCC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)OC(=O)N(C(CC(C)(C)N)C(=O)OCC1=CC=CC=C1)C(=O)CC(CCC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C29H39N3O8/c1-28(2,3)40-27(36)31(24(18-29(4,5)30)26(35)39-19-21-9-7-6-8-10-21)25(34)17-23(33)16-13-20-11-14-22(15-12-20)32(37)38/h6-12,14-15,23-24,33H,13,16-19,30H2,1-5H3