(2R)-3-[(4-methoxyphenyl)methylsulfanyl]-2-[(4-nitrophenyl)methoxycarbonylamino]propanoic acid

Systemtic Name: (2R)-3-[(4-methoxyphenyl)methylsulfanyl]-2-[(4-nitrophenyl)methoxycarbonylamino]propanoic acid Openeye Name: (2R)-3-[(4-methoxyphenyl)methylsulfanyl]-2-[(4-nitrophenyl)methoxycarbonylamino]propanoic acid CAS Name: (2R)-3-[(4-methoxyphenyl)methylthio]-2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]propanoic acid IUPAC Name: (2R)-3-[(4-methoxyphenyl)methylsulfanyl]-2-[(4-nitrophenyl)methoxycarbonylamino]propanoic acid Traditional Name: (2R)-2-[(4-nitrobenzyl)oxycarbonylamino]-3-(p-anisylthio)propionic acid Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CSC[C@@H](C(=O)O)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O7S/c1-27-16-8-4-14(5-9-16)11-29-12-17(18(22)23)20-19(24)28-10-13-2-6-15(7-3-13)21(25)26/h2-9,17H,10-12H2,1H3,(H,20,24)(H,22,23)/t17-/m0/s1