pyridin-3-yl (2S)-2-[[[(2S)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-(3-phenylpropanoyl)amino]oxymethyl]pyrrolidine-1-carboxylate

Systemtic Name: pyridin-3-yl (2S)-2-[[[(2S)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-(3-phenylpropanoyl)amino]oxymethyl]pyrrolidine-1-carboxylate Openeye Name: 3-pyridyl (2S)-2-[[[(1S)-1-methoxycarbonyl-3-methylsulfanyl-propyl]-(3-phenylpropanoyl)amino]oxymethyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[(2S)-1-methoxy-4-(methylthio)-1-oxobutan-2-yl]-(1-oxo-3-phenylpropyl)amino]oxymethyl]-1-pyrrolidinecarboxylic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl (2S)-2-[[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]-(3-phenylpropanoyl)amino]oxymethyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[[(1S)-1-carbomethoxy-3-(methylthio)propyl]-hydrocinnamoyl-amino]oxymethyl]pyrrolidine-1-carboxylic acid 3-pyridyl ester Formula: C26H33N3O6S MolecularWeight: 515.62172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)N(C(=O)CCC1=CC=CC=C1)OCC2CCCN2C(=O)OC3=CN=CC=C3

Isomeric SMILES

COC(=O)[C@H](CCSC)N(C(=O)CCC1=CC=CC=C1)OC[C@@H]2CCCN2C(=O)OC3=CN=CC=C3

InChI

InChI=1S/C26H33N3O6S/c1-33-25(31)23(14-17-36-2)29(24(30)13-12-20-8-4-3-5-9-20)34-19-21-10-7-16-28(21)26(32)35-22-11-6-15-27-18-22/h3-6,8-9,11,15,18,21,23H,7,10,12-14,16-17,19H2,1-2H3/t21-,23-/m0/s1