(6S)-3-[3-(dimethylamino)-3-oxidanylidene-1-(2H-1,2,3,4-tetrazol-5-ylsulfanyl)propyl]-7-[[2-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6S)-3-[3-(dimethylamino)-3-oxidanylidene-1-(2H-1,2,3,4-tetrazol-5-ylsulfanyl)propyl]-7-[[2-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6S)-7-[[2-(tert-butoxycarbonylamino)-2-(4-hydroxyphenyl)acetyl]amino]-3-[3-(dimethylamino)-3-oxo-1-(2H-tetrazol-5-ylsulfanyl)propyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6S)-3-[3-(dimethylamino)-3-oxo-1-(2H-tetrazol-5-ylthio)propyl]-7-[[2-(4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6S)-3-[3-(dimethylamino)-3-oxo-1-(2H-tetrazol-5-ylsulfanyl)propyl]-7-[[2-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6S)-7-[[2-(tert-butoxycarbonylamino)-2-(4-hydroxyphenyl)acetyl]amino]-3-[3-(dimethylamino)-3-keto-1-(2H-tetrazol-5-ylthio)propyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C26H32N8O8S2 MolecularWeight: 648.71108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)O)C(=O)NC2C3N(C2=O)C(=C(CS3)C(CC(=O)N(C)C)SC4=NNN=N4)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)O)C(=O)NC2[C@H]3N(C2=O)C(=C(CS3)C(CC(=O)N(C)C)SC4=NNN=N4)C(=O)O

InChI

InChI=1S/C26H32N8O8S2/c1-26(2,3)42-25(41)28-17(12-6-8-13(35)9-7-12)20(37)27-18-21(38)34-19(23(39)40)14(11-43-22(18)34)15(10-16(36)33(4)5)44-24-29-31-32-30-24/h6-9,15,17-18,22,35H,10-11H2,1-5H3,(H,27,37)(H,28,41)(H,39,40)(H,29,30,31,32)/t15?,17?,18?,22-/m0/s1