(4-methoxyphenyl)methyl (6R,7R)-7-[2-[2-[bis(azanyl)methylideneamino]ethylsulfanyl]ethanoylamino]-3-[2,4-bis(chloromethyl)phenyl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (6R,7R)-7-[2-[2-[bis(azanyl)methylideneamino]ethylsulfanyl]ethanoylamino]-3-[2,4-bis(chloromethyl)phenyl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl (6R,7R)-3-[2,4-bis(chloromethyl)phenyl]sulfanyl-7-[[2-(2-guanidinoethylsulfanyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-3-[[2,4-bis(chloromethyl)phenyl]thio]-7-[[2-[2-(diaminomethylideneamino)ethylthio]-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 (6R,7R)-3-[2,4-bis(chloromethyl)phenyl]sulfanyl-7-[[2-[2-(diaminomethylideneamino)ethylsulfanyl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-3-[[2,4-bis(chloromethyl)phenyl]thio]-7-[[2-(2-guanidinoethylthio)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C28H31Cl2N5O5S3 MolecularWeight: 684.67724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3NC(=O)CSCCN=C(N)N)SC4=C(C=C(C=C4)CCl)CCl

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)CSCCN=C(N)N)SC4=C(C=C(C=C4)CCl)CCl

InChI

InChI=1S/C28H31Cl2N5O5S3/c1-39-19-5-2-16(3-6-19)13-40-27(38)24-21(43-20-7-4-17(11-29)10-18(20)12-30)14-42-26-23(25(37)35(24)26)34-22(36)15-41-9-8-33-28(31)32/h2-7,10,23,26H,8-9,11-15H2,1H3,(H,34,36)(H4,31,32,33)/t23-,26-/m1/s1