(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-nitro-2-phenylmethoxy-phenyl)propanoic acid

Systemtic Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-nitro-2-phenylmethoxy-phenyl)propanoic acid Openeye Name: (2S)-3-(2-benzyloxy-5-nitro-phenyl)-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(5-nitro-2-phenylmethoxyphenyl)propanoic acid IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-nitro-2-phenylmethoxyphenyl)propanoic acid Traditional Name: (2S)-3-(2-benzoxy-5-nitro-phenyl)-2-(tert-butoxycarbonylamino)propionic acid Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=C(C=CC(=C1)[N+](=O)[O-])OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=C(C=CC(=C1)[N+](=O)[O-])OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H24N2O7/c1-21(2,3)30-20(26)22-17(19(24)25)12-15-11-16(23(27)28)9-10-18(15)29-13-14-7-5-4-6-8-14/h4-11,17H,12-13H2,1-3H3,(H,22,26)(H,24,25)/t17-/m0/s1