(6S)-7-[[2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-3-[4-(diethylamino)-4-oxidanylidene-1-(2H-1,2,3,4-tetrazol-5-ylsulfanyl)butyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6S)-7-[[2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-3-[4-(diethylamino)-4-oxidanylidene-1-(2H-1,2,3,4-tetrazol-5-ylsulfanyl)butyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6S)-7-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-[4-(diethylamino)-4-oxo-1-(2H-tetrazol-5-ylsulfanyl)butyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6S)-7-[[2-amino-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-3-[4-(diethylamino)-4-oxo-1-(2H-tetrazol-5-ylthio)butyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6S)-7-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-[4-(diethylamino)-4-oxo-1-(2H-tetrazol-5-ylsulfanyl)butyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6S)-7-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-[4-(diethylamino)-4-keto-1-(2H-tetrazol-5-ylthio)butyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C24H30N8O6S2 MolecularWeight: 590.675

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CCC(C1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O)SC4=NNN=N4

Isomeric SMILES

CCN(CC)C(=O)CCC(C1=C(N2[C@H](C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O)SC4=NNN=N4

InChI

InChI=1S/C24H30N8O6S2/c1-3-31(4-2)16(34)10-9-15(40-24-27-29-30-28-24)14-11-39-22-18(21(36)32(22)19(14)23(37)38)26-20(35)17(25)12-5-7-13(33)8-6-12/h5-8,15,17-18,22,33H,3-4,9-11,25H2,1-2H3,(H,26,35)(H,37,38)(H,27,28,29,30)/t15?,17?,18?,22-/m0/s1