[(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] 3-acetamidopropanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] 3-acetamidopropanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-acetamidopropanoate CAS Name: 3-acetamidopropanoic acid [(2R)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] 3-acetamidopropanoate Traditional Name: 3-acetamidopropionic acid [(1R)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC(=O)CCNC(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC(=O)CCNC(=O)C

InChI

InChI=1S/C18H25N3O6S/c1-13(27-17(23)9-10-19-14(2)22)18(24)20-15-5-7-16(8-6-15)28(25,26)21-11-3-4-12-21/h5-8,13H,3-4,9-12H2,1-2H3,(H,19,22)(H,20,24)/t13-/m1/s1