2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-azetidin-1-yl]-3-(phenylsulfonyl)propanoic acid

Systemtic Name: 2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-azetidin-1-yl]-3-(phenylsulfonyl)propanoic acid Openeye Name: 3-(benzenesulfonyl)-2-[(3S)-3-(tert-butoxycarbonylamino)-2-oxo-azetidin-1-yl]propanoic acid CAS Name: 3-(benzenesulfonyl)-2-[(3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-1-azetidinyl]propanoic acid IUPAC Name: 3-(benzenesulfonyl)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazetidin-1-yl]propanoic acid Traditional Name: 3-besyl-2-[(3S)-3-(tert-butoxycarbonylamino)-2-keto-azetidin-1-yl]propionic acid Formula: C17H22N2O7S MolecularWeight: 398.43078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CN(C1=O)C(CS(=O)(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CN(C1=O)C(CS(=O)(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H22N2O7S/c1-17(2,3)26-16(23)18-12-9-19(14(12)20)13(15(21)22)10-27(24,25)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,18,23)(H,21,22)/t12-,13?/m0/s1