2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)propanoyl]amino]acetic acid CAS Name: 2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-nitrophenyl)-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoyl]amino]acetic acid Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)propanoyl]amino]acetic acid Formula: C16H21N3O7 MolecularWeight: 367.35384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O7/c1-16(2,3)26-15(23)18-12(14(22)17-9-13(20)21)8-10-4-6-11(7-5-10)19(24)25/h4-7,12H,8-9H2,1-3H3,(H,17,22)(H,18,23)(H,20,21)