(phenylmethyl) 5-oxidanylidene-5-[[1-oxidanylidene-1-[[2-oxidanylidene-2-[2,3,4,5,6-pentakis(chloranyl)phenoxy]ethyl]amino]-3-(phenylmethylsulfanyl)propan-2-yl]amino]-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: (phenylmethyl) 5-oxidanylidene-5-[[1-oxidanylidene-1-[[2-oxidanylidene-2-[2,3,4,5,6-pentakis(chloranyl)phenoxy]ethyl]amino]-3-(phenylmethylsulfanyl)propan-2-yl]amino]-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: benzyl 2-(benzyloxycarbonylamino)-5-[[1-(benzylsulfanylmethyl)-2-oxo-2-[[2-oxo-2-(2,3,4,5,6-pentachlorophenoxy)ethyl]amino]ethyl]amino]-5-oxo-pentanoate CAS Name: 5-oxo-5-[[1-oxo-1-[[2-oxo-2-(2,3,4,5,6-pentachlorophenoxy)ethyl]amino]-3-(phenylmethylthio)propan-2-yl]amino]-2-(phenylmethoxycarbonylamino)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[[3-benzylsulfanyl-1-oxo-1-[[2-oxo-2-(2,3,4,5,6-pentachlorophenoxy)ethyl]amino]propan-2-yl]amino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 2-(benzyloxycarbonylamino)-5-[[1-[(benzylthio)methyl]-2-keto-2-[[2-keto-2-(2,3,4,5,6-pentachlorophenoxy)ethyl]amino]ethyl]amino]-5-keto-valeric acid benzyl ester Formula: C38H34Cl5N3O8S MolecularWeight: 870.02186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCC(=O)NC(CSCC2=CC=CC=C2)C(=O)NCC(=O)OC3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)Cl)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CCC(=O)NC(CSCC2=CC=CC=C2)C(=O)NCC(=O)OC3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)Cl)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C38H34Cl5N3O8S/c39-30-31(40)33(42)35(34(43)32(30)41)54-29(48)18-44-36(49)27(22-55-21-25-14-8-3-9-15-25)45-28(47)17-16-26(37(50)52-19-23-10-4-1-5-11-23)46-38(51)53-20-24-12-6-2-7-13-24/h1-15,26-27H,16-22H2,(H,44,49)(H,45,47)(H,46,51)