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

Systemtic Name: (2S)-5-[(5-methoxy-2-nitro-phenyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-5-(5-methoxy-2-nitro-anilino)pentanoic acid CAS Name: (2S)-5-(5-methoxy-2-nitroanilino)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid IUPAC Name: (2S)-5-(5-methoxy-2-nitroanilino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-5-(5-methoxy-2-nitro-anilino)valeric acid Formula: C17H25N3O7 MolecularWeight: 383.3963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O7/c1-17(2,3)27-16(23)19-12(15(21)22)6-5-9-18-13-10-11(26-4)7-8-14(13)20(24)25/h7-8,10,12,18H,5-6,9H2,1-4H3,(H,19,23)(H,21,22)/t12-/m0/s1