7-[[2-(3,4-diacetyloxyphenyl)-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]ethanoyl]amino]-7-formamido-8-oxidanylidene-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[2-(3,4-diacetyloxyphenyl)-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]ethanoyl]amino]-7-formamido-8-oxidanylidene-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-(3,4-diacetoxyphenyl)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]acetyl]amino]-7-formamido-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-(3,4-diacetyloxyphenyl)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxoethyl]amino]-7-formamido-8-oxo-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-(3,4-diacetyloxyphenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl]amino]-7-formamido-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-(3,4-diacetoxyphenyl)-2-[(4-ethyl-2,3-diketo-piperazine-1-carbonyl)amino]acetyl]amino]-7-formamido-8-keto-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C30H30N8O12S3 MolecularWeight: 790.8006

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC(=C(C=C2)OC(=O)C)OC(=O)C)C(=O)NC3(C4N(C3=O)C(=C(CS4)CSC5=NN=CS5)C(=O)O)NC=O

Isomeric SMILES

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC(=C(C=C2)OC(=O)C)OC(=O)C)C(=O)NC3(C4N(C3=O)C(=C(CS4)CSC5=NN=CS5)C(=O)O)NC=O

InChI

InChI=1S/C30H30N8O12S3/c1-4-36-7-8-37(24(44)23(36)43)28(48)33-20(16-5-6-18(49-14(2)40)19(9-16)50-15(3)41)22(42)34-30(31-12-39)26(47)38-21(25(45)46)17(10-51-27(30)38)11-52-29-35-32-13-53-29/h5-6,9,12-13,20,27H,4,7-8,10-11H2,1-3H3,(H,31,39)(H,33,48)(H,34,42)(H,45,46)