sodium 7-[2-[2-[[methyl(4-phenylbutanoyl)carbamoyl]amino]phenyl]ethanoylamino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 7-[2-[2-[[methyl(4-phenylbutanoyl)carbamoyl]amino]phenyl]ethanoylamino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 7-[[2-[2-[[methyl(4-phenylbutanoyl)carbamoyl]amino]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 CAS Name: sodium 7-[[2-[2-[[[methyl-(1-oxo-4-phenylbutyl)amino]-oxomethyl]amino]phenyl]-1-oxoethyl]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-carboxylate IUPAC Name: sodium 7-[[2-[2-[[methyl(4-phenylbutanoyl)carbamoyl]amino]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 Traditional Name: sodium 8-keto-7-[[2-[2-[[methyl(4-phenylbutanoyl)carbamoyl]amino]phenyl]acetyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C31H31N6NaO6S3 MolecularWeight: 702.79921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4NC(=O)N(C)C(=O)CCCC5=CC=CC=C5)SC2)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4NC(=O)N(C)C(=O)CCCC5=CC=CC=C5)SC2)C(=O)[O-].[Na+]

InChI

InChI=1S/C31H32N6O6S3.Na/c1-18-34-35-31(46-18)45-17-21-16-44-28-25(27(40)37(28)26(21)29(41)42)33-23(38)15-20-12-6-7-13-22(20)32-30(43)36(2)24(39)14-8-11-19-9-4-3-5-10-19;/h3-7,9-10,12-13,25,28H,8,11,14-17H2,1-2H3,(H,32,43)(H,33,38)(H,41,42);/q;+1/p-1