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

Systemtic Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(2-nitro-5-oxidanyl-phenyl)amino]pentanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-5-(5-hydroxy-2-nitro-anilino)pentanoic acid CAS Name: (2S)-5-(5-hydroxy-2-nitroanilino)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid IUPAC Name: (2S)-5-(5-hydroxy-2-nitroanilino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-5-(5-hydroxy-2-nitro-anilino)valeric acid Formula: C16H23N3O7 MolecularWeight: 369.36972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCNC1=C(C=CC(=C1)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCNC1=C(C=CC(=C1)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H23N3O7/c1-16(2,3)26-15(23)18-11(14(21)22)5-4-8-17-12-9-10(20)6-7-13(12)19(24)25/h6-7,9,11,17,20H,4-5,8H2,1-3H3,(H,18,23)(H,21,22)/t11-/m0/s1