(2S)-2-[2-(4-nitrophenyl)sulfonylethoxycarbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[2-(4-nitrophenyl)sulfonylethoxycarbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[2-(4-nitrophenyl)sulfonylethoxycarbonylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[2-(4-nitrophenyl)sulfonylethoxy-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[2-(4-nitrophenyl)sulfonylethoxycarbonylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-(2-nosylethoxycarbonylamino)-3-phenyl-propionic acid Formula: C18H18N2O8S MolecularWeight: 422.40912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCCS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)OCCS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O8S/c21-17(22)16(12-13-4-2-1-3-5-13)19-18(23)28-10-11-29(26,27)15-8-6-14(7-9-15)20(24)25/h1-9,16H,10-12H2,(H,19,23)(H,21,22)/t16-/m0/s1