propan-2-yl 2-[[3-methyl-2-[(3-nitrophenyl)carbonylamino]butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: propan-2-yl 2-[[3-methyl-2-[(3-nitrophenyl)carbonylamino]butanoyl]amino]-3-phenyl-propanoate Openeye Name: isopropyl 2-[[3-methyl-2-[(3-nitrobenzoyl)amino]butanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[3-methyl-2-[[(3-nitrophenyl)-oxomethyl]amino]-1-oxobutyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[3-methyl-2-[(3-nitrobenzoyl)amino]butanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[3-methyl-2-[(3-nitrobenzoyl)amino]butanoyl]amino]-3-phenyl-propionic acid isopropyl ester Formula: C24H29N3O6 MolecularWeight: 455.50356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)OC(C)C)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)OC(C)C)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C24H29N3O6/c1-15(2)21(26-22(28)18-11-8-12-19(14-18)27(31)32)23(29)25-20(24(30)33-16(3)4)13-17-9-6-5-7-10-17/h5-12,14-16,20-21H,13H2,1-4H3,(H,25,29)(H,26,28)