2-[(E)-[2-[[4-(2-azanyl-1,3-thiazol-4-yl)-2-carboxyoxy-3-[(E)-2-(3,4-diacetyloxyphenyl)ethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-2-methyl-propanoic acid

Systemtic Name: 2-[(E)-[2-[[4-(2-azanyl-1,3-thiazol-4-yl)-2-carboxyoxy-3-[(E)-2-(3,4-diacetyloxyphenyl)ethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-2-methyl-propanoic acid Openeye Name: 2-[(E)-[2-[[4-(2-aminothiazol-4-yl)-2-carboxyoxy-3-[(E)-2-(3,4-diacetoxyphenyl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl]amino]-2-oxo-ethylidene]amino]oxy-2-methyl-propanoic acid CAS Name: 2-[(E)-[2-[[4-(2-amino-4-thiazolyl)-2-carboxyoxy-3-[(E)-2-(3,4-diacetyloxyphenyl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid IUPAC Name: 2-[(E)-[2-[[4-(2-amino-1,3-thiazol-4-yl)-2-carboxyoxy-3-[(E)-2-(3,4-diacetyloxyphenyl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid Traditional Name: 2-[(E)-[2-[[4-(2-aminothiazol-4-yl)-2-carboxyoxy-3-[(E)-2-(3,4-diacetoxyphenyl)vinyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl]amino]-2-keto-ethylidene]amino]oxy-2-methyl-propionic acid Formula: C28H27N5O12S2 MolecularWeight: 689.67028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C=CC2=C(N3C(CC3=O)SC2(C4=CSC(=N4)N)NC(=O)C=NOC(C)(C)C(=O)O)OC(=O)O)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)/C=C/C2=C(N3C(CC3=O)SC2(C4=CSC(=N4)N)NC(=O)/C=N/OC(C)(C)C(=O)O)OC(=O)O)OC(=O)C

InChI

InChI=1S/C28H27N5O12S2/c1-13(34)42-17-8-6-15(9-18(17)43-14(2)35)5-7-16-23(44-26(40)41)33-21(37)10-22(33)47-28(16,19-12-46-25(29)31-19)32-20(36)11-30-45-27(3,4)24(38)39/h5-9,11-12,22H,10H2,1-4H3,(H2,29,31)(H,32,36)(H,38,39)(H,40,41)/b7-5+,30-11+