(4-nitrophenyl)methyl 2-[(3-azanyl-4-cyclohexyl-2-oxidanyl-butanoyl)amino]-3-oxidanyl-propanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[(3-azanyl-4-cyclohexyl-2-oxidanyl-butanoyl)amino]-3-oxidanyl-propanoate Openeye Name: (4-nitrophenyl)methyl 2-[(3-amino-4-cyclohexyl-2-hydroxy-butanoyl)amino]-3-hydroxy-propanoate CAS Name: 2-[(3-amino-4-cyclohexyl-2-hydroxy-1-oxobutyl)amino]-3-hydroxypropanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(3-amino-4-cyclohexyl-2-hydroxybutanoyl)amino]-3-hydroxypropanoate Traditional Name: 2-[(3-amino-4-cyclohexyl-2-hydroxy-butanoyl)amino]-3-hydroxy-propionic acid (4-nitrobenzyl) ester Formula: C20H29N3O7 MolecularWeight: 423.46016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(C(=O)NC(CO)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O)N

Isomeric SMILES

C1CCC(CC1)CC(C(C(=O)NC(CO)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O)N

InChI

InChI=1S/C20H29N3O7/c21-16(10-13-4-2-1-3-5-13)18(25)19(26)22-17(11-24)20(27)30-12-14-6-8-15(9-7-14)23(28)29/h6-9,13,16-18,24-25H,1-5,10-12,21H2,(H,22,26)