2-[(3R,4R)-2-oxidanylidene-3-(2-phenoxyethanoylamino)-4-(phenylmethyl)sulfonyl-azetidin-1-yl]ethanoic acid

Systemtic Name: 2-[(3R,4R)-2-oxidanylidene-3-(2-phenoxyethanoylamino)-4-(phenylmethyl)sulfonyl-azetidin-1-yl]ethanoic acid Openeye Name: 2-[(2R,3R)-2-benzylsulfonyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]acetic acid CAS Name: 2-[(3R,4R)-2-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-4-(phenylmethyl)sulfonyl-1-azetidinyl]acetic acid IUPAC Name: 2-[(2R,3R)-2-benzylsulfonyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]acetic acid Traditional Name: 2-[(2R,3R)-2-benzylsulfonyl-4-keto-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]acetic acid Formula: C20H20N2O7S MolecularWeight: 432.447

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C2C(C(=O)N2CC(=O)O)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)[C@@H]2[C@@H](C(=O)N2CC(=O)O)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O7S/c23-16(12-29-15-9-5-2-6-10-15)21-18-19(26)22(11-17(24)25)20(18)30(27,28)13-14-7-3-1-4-8-14/h1-10,18,20H,11-13H2,(H,21,23)(H,24,25)/t18-,20-/m1/s1