(5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)methyl 7-[[2-(2-azanylpropanoyloxy)-2-phenyl-ethanoyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride

Systemtic Name: (5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)methyl 7-[[2-(2-azanylpropanoyloxy)-2-phenyl-ethanoyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride Openeye Name: (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 7-[[2-(2-aminopropanoyloxy)-2-phenyl-acetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride CAS Name: 7-[[2-(2-amino-1-oxopropoxy)-1-oxo-2-phenylethyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester dihydrochloride IUPAC Name: (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 7-[[2-(2-aminopropanoyloxy)-2-phenylacetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride Traditional Name: 7-[(2-alanyloxy-2-phenyl-acetyl)amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2-keto-5-methyl-1,3-dioxol-4-yl)methyl ester dihydrochloride Formula: C27H29Cl2N5O9S3 MolecularWeight: 734.64826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=O)O1)COC(=O)C2=C(CSC3N2C(=O)C3NC(=O)C(C4=CC=CC=C4)OC(=O)C(C)N)CSC5=NN=C(S5)C.Cl.Cl

Isomeric SMILES

CC1=C(OC(=O)O1)COC(=O)C2=C(CSC3N2C(=O)C3NC(=O)C(C4=CC=CC=C4)OC(=O)C(C)N)CSC5=NN=C(S5)C.Cl.Cl

InChI

InChI=1S/C27H27N5O9S3.2ClH/c1-12(28)24(35)41-20(15-7-5-4-6-8-15)21(33)29-18-22(34)32-19(25(36)38-9-17-13(2)39-27(37)40-17)16(10-42-23(18)32)11-43-26-31-30-14(3)44-26;;/h4-8,12,18,20,23H,9-11,28H2,1-3H3,(H,29,33);2*1H