3-(aminocarbonyloxymethyl)-7-[2-[4-[(3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]phenyl]ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(aminocarbonyloxymethyl)-7-[2-[4-[(3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]phenyl]ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-[4-[(3-amino-4-hydroxy-4-oxo-butanoyl)amino]phenyl]acetyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-[4-[(3-amino-4-hydroxy-1,4-dioxobutyl)amino]phenyl]-1-oxoethyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-[4-[(3-amino-4-hydroxy-4-oxobutanoyl)amino]phenyl]acetyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-[4-[(3-amino-4-hydroxy-4-keto-butanoyl)amino]phenyl]acetyl]amino]-3-(carbamoyloxymethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H23N5O9S MolecularWeight: 521.50042

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=C(C=C3)NC(=O)CC(C(=O)O)N)C(=O)O)COC(=O)N

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=C(C=C3)NC(=O)CC(C(=O)O)N)C(=O)O)COC(=O)N

InChI

InChI=1S/C21H23N5O9S/c22-12(19(30)31)6-14(28)24-11-3-1-9(2-4-11)5-13(27)25-15-17(29)26-16(20(32)33)10(7-35-21(23)34)8-36-18(15)26/h1-4,12,15,18H,5-8,22H2,(H2,23,34)(H,24,28)(H,25,27)(H,30,31)(H,32,33)