(6S)-7-[[2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-3-[4-(dibutylamino)-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-(dibutylamino)-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-(dibutylamino)-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-(dibutylamino)-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-(dibutylamino)-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-(dibutylamino)-4-keto-1-(2H-tetrazol-5-ylthio)butyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C28H38N8O6S2 MolecularWeight: 646.78132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)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

CCCCN(CCCC)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/C28H38N8O6S2/c1-3-5-13-35(14-6-4-2)20(38)12-11-19(44-28-31-33-34-32-28)18-15-43-26-22(25(40)36(26)23(18)27(41)42)30-24(39)21(29)16-7-9-17(37)10-8-16/h7-10,19,21-22,26,37H,3-6,11-15,29H2,1-2H3,(H,30,39)(H,41,42)(H,31,32,33,34)/t19?,21?,22?,26-/m0/s1