COc1ccc(CS[C@H]2C[C@@H](C(=O)O)N(C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)cc1

Name: (2S,4S)-4-(4-methoxybenzylthio)-1-(4-nitrobenzyloxycarbonyl)-2-pyrrolidinecarboxylic acid

IUPAC: (2S,4S)-4-[(4-methoxyphenyl)methylsulfanyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carboxylic acid

SMILES: COc1ccc(CS[C@H]2C[C@@H](C(=O)O)N(C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)cc1

Canonical SMILES: COC1=CC=C(C=C1)CSC2CC(N(C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Molecular formula: C21H22N2O7S

Molecular weight: 446.50

InChIKey: JQWUEVPNOSPHNN-OALUTQOASA-N

InChI:

InChI=1S/C21H22N2O7S/c1-29-17-8-4-15(5-9-17)13-31-18-10-19(20(24)25)22(11-18)21(26)30-12-14-2-6-16(7-3-14)23(27)28/h2-9,18-19H,10-13H2,1H3,(H,24,25)/t18-,19-/m0/s1

PubChem CID: 15297071 →

Synonyms

SCHEMBL6945003JQWUEVPNOSPHNN-OALUTQOASA-N(2S,4S)-4-(4-methoxybenzyl)thio-1-(4-nitrobenzyloxycarbonyl)-L-proline(2S, 4S)-4-(4-methoxybenzylthio)-1-(4-nitrobenzyloxycarbonyl)-2-pyrrolidinecarboxylic acid(2S,4S)-4-(4-methoxybenzylthio)-1-(4-nitrobenzyloxy-carbonyl)-2-pyrrolidinecarboxylic acid(2S,4S)-4-(4-Methoxybenzylthio)-1-(4-nitrobenzyloxycarbonyl) -2-pyrrolidinecarboxylic acid(2S,4S)-4-(4-methoxybenzylthio)-1-(4-nitrobenzyloxycarbonyl)-2-pyrrolidine carboxylic acid(2S,4S)-4-(4-Methoxybenzylthio)-1-(4-nitrobenzyloxycarbonyl)-2-pyrrolidinecarboxylic acid(2S, 4S)-4-(4-methoxybenzylthio)-1-(4-nitrobenzyloxycarbonyl)-2-pyrrolidine carboxylic acid(2S,4S)-4-(4-methoxy-benzylthio)-1-(4-nitrobenzyloxycarbonyl)-2-pyrrolidine-carboxylic acid

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