(diphenylmethyl) 3-(acetyloxymethyl)-7-methyl-7-[[2-[(3-methylsulfonyl-2-oxidanylidene-imidazolidin-1-yl)carbonylamino]-3-oxidanyl-butanoyl]amino]-8-sulfanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 3-(acetyloxymethyl)-7-methyl-7-[[2-[(3-methylsulfonyl-2-oxidanylidene-imidazolidin-1-yl)carbonylamino]-3-oxidanyl-butanoyl]amino]-8-sulfanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 3-(acetoxymethyl)-7-[[3-hydroxy-2-[(3-methylsulfonyl-2-oxo-imidazolidine-1-carbonyl)amino]butanoyl]amino]-7-methyl-8-thioxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-7-[[3-hydroxy-2-[[(3-methylsulfonyl-2-oxo-1-imidazolidinyl)-oxomethyl]amino]-1-oxobutyl]amino]-7-methyl-8-sulfanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-(acetyloxymethyl)-7-[[3-hydroxy-2-[(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)amino]butanoyl]amino]-7-methyl-8-sulfanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-7-[[3-hydroxy-2-[(2-keto-3-mesyl-imidazolidine-1-carbonyl)amino]butanoyl]amino]-7-methyl-8-thioxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C33H37N5O10S3 MolecularWeight: 759.86938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC1(C2N(C1=S)C(=C(CS2)COC(=O)C)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C)NC(=O)N5CCN(C5=O)S(=O)(=O)C)O

Isomeric SMILES

CC(C(C(=O)NC1(C2N(C1=S)C(=C(CS2)COC(=O)C)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C)NC(=O)N5CCN(C5=O)S(=O)(=O)C)O

InChI

InChI=1S/C33H37N5O10S3/c1-19(39)24(34-31(43)36-15-16-37(32(36)44)51(4,45)46)27(41)35-33(3)29(49)38-25(23(17-47-20(2)40)18-50-30(33)38)28(42)48-26(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,19,24,26,30,39H,15-18H2,1-4H3,(H,34,43)(H,35,41)