(diphenylmethyl) (6R,7R)-7-[[(2Z)-2-acetyloxyimino-3-(5-chloranyl-2-formamido-1,3-thiazol-4-yl)propanoyl]amino]-3-[[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]sulfanyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) (6R,7R)-7-[[(2Z)-2-acetyloxyimino-3-(5-chloranyl-2-formamido-1,3-thiazol-4-yl)propanoyl]amino]-3-[[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]sulfanyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl (6R,7R)-7-[[(2Z)-2-acetoxyimino-3-(5-chloro-2-formamido-thiazol-4-yl)propanoyl]amino]-3-[4-(2-amino-2-oxo-ethyl)thiazol-2-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-7-[[(2Z)-2-acetyloxyimino-3-(5-chloro-2-formamido-4-thiazolyl)-1-oxopropyl]amino]-3-[[4-(2-amino-2-oxoethyl)-2-thiazolyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl (6R,7R)-7-[[(2Z)-2-acetyloxyimino-3-(5-chloro-2-formamido-1,3-thiazol-4-yl)propanoyl]amino]-3-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-[[(2Z)-2-acetyloximino-3-(5-chloro-2-formamido-thiazol-4-yl)propanoyl]amino]-3-[[4-(2-amino-2-keto-ethyl)thiazol-2-yl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C34H28ClN7O8S4 MolecularWeight: 826.34122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ON=C(CC1=C(SC(=N1)NC=O)Cl)C(=O)NC2C3N(C2=O)C(=C(CS3)SC4=NC(=CS4)CC(=O)N)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(=O)O/N=C(/CC1=C(SC(=N1)NC=O)Cl)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)SC4=NC(=CS4)CC(=O)N)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C34H28ClN7O8S4/c1-17(44)50-41-22(13-21-28(35)54-33(39-21)37-16-43)29(46)40-25-30(47)42-26(23(15-51-31(25)42)53-34-38-20(14-52-34)12-24(36)45)32(48)49-27(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,14,16,25,27,31H,12-13,15H2,1H3,(H2,36,45)(H,40,46)(H,37,39,43)/b41-22-/t25-,31-/m1/s1