7-[[(2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-(triphenylmethyl)oxyimino-ethanoyl]amino]-8-oxidanylidene-3-(1,2,3-thiadiazol-5-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-(triphenylmethyl)oxyimino-ethanoyl]amino]-8-oxidanylidene-3-(1,2,3-thiadiazol-5-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2Z)-2-[2-(tert-butoxycarbonylamino)thiazol-4-yl]-2-trityloxyimino-acetyl]amino]-8-oxo-3-(thiadiazol-5-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2Z)-2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-thiazolyl]-1-oxo-2-(triphenylmethyl)oxyiminoethyl]amino]-8-oxo-3-[(5-thiadiazolylthio)methylthio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-trityloxyiminoacetyl]amino]-8-oxo-3-(thiadiazol-5-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2Z)-2-[2-(tert-butoxycarbonylamino)thiazol-4-yl]-2-trityloximino-acetyl]amino]-8-keto-3-[(thiadiazol-5-ylthio)methylthio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C39H35N7O7S5 MolecularWeight: 874.0629

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC(=CS1)C(=NOC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC5C6N(C5=O)C(=C(CS6)SCSC7=CN=NS7)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC(=CS1)/C(=N/OC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C(=O)NC5C6N(C5=O)C(=C(CS6)SCSC7=CN=NS7)C(=O)O

InChI

InChI=1S/C39H35N7O7S5/c1-38(2,3)52-37(51)43-36-41-26(20-55-36)29(44-53-39(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25)32(47)42-30-33(48)46-31(35(49)50)27(21-54-34(30)46)56-22-57-28-19-40-45-58-28/h4-20,30,34H,21-22H2,1-3H3,(H,42,47)(H,49,50)(H,41,43,51)/b44-29-