(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(2-nitrophenyl)amino]pentanoic acid

Systemtic Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(2-nitrophenyl)amino]pentanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-5-(2-nitroanilino)pentanoic acid CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-(2-nitroanilino)pentanoic acid IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(2-nitroanilino)pentanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-5-(2-nitroanilino)valeric acid Formula: C16H23N3O6 MolecularWeight: 353.37032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O6/c1-16(2,3)25-15(22)18-12(14(20)21)8-6-10-17-11-7-4-5-9-13(11)19(23)24/h4-5,7,9,12,17H,6,8,10H2,1-3H3,(H,18,22)(H,20,21)/t12-/m0/s1