(4-methoxyphenyl)methyl 3-(chloromethyl)-7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yloxyimino]ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl 3-(chloromethyl)-7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yloxyimino]ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl 7-[[(2E)-2-[1-[(tert-butoxycarbonylamino)methyl]propoxyimino]-2-(2-formamidothiazol-4-yl)acetyl]amino]-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(chloromethyl)-7-[[(2E)-2-(2-formamido-4-thiazolyl)-2-[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butan-2-yloxyimino]-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 3-(chloromethyl)-7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yloxyimino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-[1-[(tert-butoxycarbonylamino)methyl]propyloximino]-2-(2-formamidothiazol-4-yl)acetyl]amino]-3-(chloromethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C31H37ClN6O9S2 MolecularWeight: 737.24328

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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)CCl)C(=O)OCC4=CC=C(C=C4)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)CCl)C(=O)OCC4=CC=C(C=C4)OC

InChI

InChI=1S/C31H37ClN6O9S2/c1-6-19(12-33-30(43)46-31(2,3)4)47-37-22(21-15-49-29(35-21)34-16-39)25(40)36-23-26(41)38-24(18(11-32)14-48-27(23)38)28(42)45-13-17-7-9-20(44-5)10-8-17/h7-10,15-16,19,23,27H,6,11-14H2,1-5H3,(H,33,43)(H,36,40)(H,34,35,39)/b37-22+