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

Systemtic Name: (2S)-4-[(5-methyl-2-nitro-phenyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-4-(5-methyl-2-nitro-anilino)butanoic acid CAS Name: (2S)-4-(5-methyl-2-nitroanilino)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: (2S)-4-(5-methyl-2-nitroanilino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-4-(5-methyl-2-nitro-anilino)butyric acid Formula: C16H23N3O6 MolecularWeight: 353.37032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O6/c1-10-5-6-13(19(23)24)12(9-10)17-8-7-11(14(20)21)18-15(22)25-16(2,3)4/h5-6,9,11,17H,7-8H2,1-4H3,(H,18,22)(H,20,21)/t11-/m0/s1