1-[4-oxidanylidene-3-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]azetidin-2-yl]sulfanylethyl 4-methylbenzenesulfonate

Systemtic Name: 1-[4-oxidanylidene-3-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]azetidin-2-yl]sulfanylethyl 4-methylbenzenesulfonate Openeye Name: 1-[3-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-oxo-azetidin-2-yl]sulfanylethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-[[4-oxo-3-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-2-azetidinyl]thio]ethyl ester IUPAC Name: 1-[4-oxo-3-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]azetidin-2-yl]sulfanylethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-[[3-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-keto-azetidin-2-yl]thio]ethyl ester Formula: C29H31N3O7S2 MolecularWeight: 597.70234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)SC2C(C(=O)N2)NC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)SC2C(C(=O)N2)NC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O7S2/c1-19-13-15-23(16-14-19)41(36,37)39-20(2)40-28-25(27(34)32-28)31-26(33)24(17-21-9-5-3-6-10-21)30-29(35)38-18-22-11-7-4-8-12-22/h3-16,20,24-25,28H,17-18H2,1-2H3,(H,30,35)(H,31,33)(H,32,34)