bis(phenylmethyl) 2-[2-(azidomethyl)-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]-2-methylsulfonyl-propanedioate

Systemtic Name: bis(phenylmethyl) 2-[2-(azidomethyl)-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]-2-methylsulfonyl-propanedioate Openeye Name: dibenzyl 2-[2-(azidomethyl)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-2-methylsulfonyl-propanedioate CAS Name: 2-[2-(azidomethyl)-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-1-azetidinyl]-2-methylsulfonylpropanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[2-(azidomethyl)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-2-methylsulfonylpropanedioate Traditional Name: 2-[2-(azidomethyl)-4-keto-3-[(2-phenylacetyl)amino]azetidin-1-yl]-2-mesyl-malonic acid dibenzyl ester Formula: C30H29N5O8S MolecularWeight: 619.64496

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(C(=O)OCC1=CC=CC=C1)(C(=O)OCC2=CC=CC=C2)N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)CN=[N+]=[N-]

Isomeric SMILES

CS(=O)(=O)C(C(=O)OCC1=CC=CC=C1)(C(=O)OCC2=CC=CC=C2)N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)CN=[N+]=[N-]

InChI

InChI=1S/C30H29N5O8S/c1-44(40,41)30(28(38)42-19-22-13-7-3-8-14-22,29(39)43-20-23-15-9-4-10-16-23)35-24(18-32-34-31)26(27(35)37)33-25(36)17-21-11-5-2-6-12-21/h2-16,24,26H,17-20H2,1H3,(H,33,36)