2-(3,4-dimethoxyphenyl)ethyl (2S)-1-[2-(phenylmethoxycarbonylamino)-2-propan-2-ylsulfanyl-ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl (2S)-1-[2-(phenylmethoxycarbonylamino)-2-propan-2-ylsulfanyl-ethanoyl]pyrrolidine-2-carboxylate Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl (2S)-1-[2-(benzyloxycarbonylamino)-2-isopropylsulfanyl-acetyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[1-oxo-2-(phenylmethoxycarbonylamino)-2-(propan-2-ylthio)ethyl]-2-pyrrolidinecarboxylic acid 2-(3,4-dimethoxyphenyl)ethyl ester IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl (2S)-1-[2-(phenylmethoxycarbonylamino)-2-propan-2-ylsulfanylacetyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-(benzyloxycarbonylamino)-2-(isopropylthio)acetyl]pyrrolidine-2-carboxylic acid homoveratryl ester Formula: C28H36N2O7S MolecularWeight: 544.65964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(C(=O)N1CCCC1C(=O)OCCC2=CC(=C(C=C2)OC)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)SC(C(=O)N1CCC[C@H]1C(=O)OCCC2=CC(=C(C=C2)OC)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H36N2O7S/c1-19(2)38-25(29-28(33)37-18-21-9-6-5-7-10-21)26(31)30-15-8-11-22(30)27(32)36-16-14-20-12-13-23(34-3)24(17-20)35-4/h5-7,9-10,12-13,17,19,22,25H,8,11,14-16,18H2,1-4H3,(H,29,33)/t22-,25?/m0/s1