2-[5-[[7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yloxyimino]ethanoyl]amino]-2-[(4-methoxyphenyl)methoxycarbonyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylsulfanyl]-1,2,3,4-tetrazol-1-yl]ethanoic acid

Systemtic Name: 2-[5-[[7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yloxyimino]ethanoyl]amino]-2-[(4-methoxyphenyl)methoxycarbonyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylsulfanyl]-1,2,3,4-tetrazol-1-yl]ethanoic acid Openeye Name: 2-[5-[[7-[[(2E)-2-[1-[(tert-butoxycarbonylamino)methyl]propoxyimino]-2-(2-formamidothiazol-4-yl)acetyl]amino]-2-[(4-methoxyphenyl)methoxycarbonyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylsulfanyl]tetrazol-1-yl]acetic acid CAS Name: 2-[5-[[7-[[(2E)-2-(2-formamido-4-thiazolyl)-2-[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butan-2-yloxyimino]-1-oxoethyl]amino]-2-[(4-methoxyphenyl)methoxy-oxomethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylthio]-1-tetrazolyl]acetic acid IUPAC Name: 2-[5-[[7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yloxyimino]acetyl]amino]-2-[(4-methoxyphenyl)methoxycarbonyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylsulfanyl]tetrazol-1-yl]acetic acid Traditional Name: 2-[5-[[7-[[(2E)-2-[1-[(tert-butoxycarbonylamino)methyl]propyloximino]-2-(2-formamidothiazol-4-yl)acetyl]amino]-8-keto-2-p-anisyloxycarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylthio]tetrazol-1-yl]acetic acid Formula: C34H40N10O11S3 MolecularWeight: 860.9368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)OC(C)(C)C)ON=C(C1=CSC(=N1)NC=O)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4CC(=O)O)C(=O)OCC5=CC=C(C=C5)OC

Isomeric SMILES

CCC(CNC(=O)OC(C)(C)C)O/N=C(\C1=CSC(=N1)NC=O)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4CC(=O)O)C(=O)OCC5=CC=C(C=C5)OC

InChI

InChI=1S/C34H40N10O11S3/c1-6-20(11-35-33(51)54-34(2,3)4)55-40-24(22-16-57-31(37-22)36-17-45)27(48)38-25-28(49)44-26(30(50)53-13-18-7-9-21(52-5)10-8-18)19(14-56-29(25)44)15-58-32-39-41-42-43(32)12-23(46)47/h7-10,16-17,20,25,29H,6,11-15H2,1-5H3,(H,35,51)(H,38,48)(H,46,47)(H,36,37,45)/b40-24+