(E)-2-[3-acetamido-2-oxidanylidene-4-(phenylmethyl)sulfonylsulfanyl-azetidin-1-yl]-4-azanyl-3-cyclohexyl-but-2-enoic acid

Systemtic Name: (E)-2-[3-acetamido-2-oxidanylidene-4-(phenylmethyl)sulfonylsulfanyl-azetidin-1-yl]-4-azanyl-3-cyclohexyl-but-2-enoic acid Openeye Name: (E)-2-(3-acetamido-2-benzylsulfonylsulfanyl-4-oxo-azetidin-1-yl)-4-amino-3-cyclohexyl-but-2-enoic acid CAS Name: (E)-2-[3-acetamido-2-oxo-4-[(phenylmethyl)sulfonylthio]-1-azetidinyl]-4-amino-3-cyclohexyl-2-butenoic acid IUPAC Name: (E)-2-(3-acetamido-2-benzylsulfonylsulfanyl-4-oxoazetidin-1-yl)-4-amino-3-cyclohexylbut-2-enoic acid Traditional Name: (E)-2-[3-acetamido-2-(benzylsulfonylthio)-4-keto-azetidin-1-yl]-4-amino-3-cyclohexyl-but-2-enoic acid Formula: C22H29N3O6S2 MolecularWeight: 495.61216

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(N(C1=O)C(=C(CN)C2CCCCC2)C(=O)O)SS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1C(N(C1=O)/C(=C(/CN)\C2CCCCC2)/C(=O)O)SS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O6S2/c1-14(26)24-18-20(27)25(19(22(28)29)17(12-23)16-10-6-3-7-11-16)21(18)32-33(30,31)13-15-8-4-2-5-9-15/h2,4-5,8-9,16,18,21H,3,6-7,10-13,23H2,1H3,(H,24,26)(H,28,29)/b19-17-