(2S)-5-[(4-methyl-2-nitro-phenyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

Systemtic Name: (2S)-5-[(4-methyl-2-nitro-phenyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-5-(4-methyl-2-nitro-anilino)pentanoic acid CAS Name: (2S)-5-(4-methyl-2-nitroanilino)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid IUPAC Name: (2S)-5-(4-methyl-2-nitroanilino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-5-(4-methyl-2-nitro-anilino)valeric acid Formula: C17H25N3O6 MolecularWeight: 367.3969

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O6/c1-11-7-8-12(14(10-11)20(24)25)18-9-5-6-13(15(21)22)19-16(23)26-17(2,3)4/h7-8,10,13,18H,5-6,9H2,1-4H3,(H,19,23)(H,21,22)/t13-/m0/s1