4-methyl-2-[[3-methyl-4-[(4-nitrophenyl)carbonylamino]phenyl]carbonylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[[3-methyl-4-[(4-nitrophenyl)carbonylamino]phenyl]carbonylamino]pentanoic acid Openeye Name: 4-methyl-2-[[3-methyl-4-[(4-nitrobenzoyl)amino]benzoyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[[3-methyl-4-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[3-methyl-4-[(4-nitrobenzoyl)amino]benzoyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[3-methyl-4-[(4-nitrobenzoyl)amino]benzoyl]amino]valeric acid Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6/c1-12(2)10-18(21(27)28)23-20(26)15-6-9-17(13(3)11-15)22-19(25)14-4-7-16(8-5-14)24(29)30/h4-9,11-12,18H,10H2,1-3H3,(H,22,25)(H,23,26)(H,27,28)