[2,3,4,5,6-pentakis(chloranyl)phenyl] 2-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]ethanoate

Systemtic Name: [2,3,4,5,6-pentakis(chloranyl)phenyl] 2-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]ethanoate Openeye Name: (2,3,4,5,6-pentachlorophenyl) 2-[[2-(benzyloxycarbonylamino)-3-benzylsulfanyl-propanoyl]amino]acetate CAS Name: 2-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-(phenylmethylthio)propyl]amino]acetic acid (2,3,4,5,6-pentachlorophenyl) ester IUPAC Name: (2,3,4,5,6-pentachlorophenyl) 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-(benzylthio)propanoyl]amino]acetic acid (2,3,4,5,6-pentachlorophenyl) ester Formula: C26H21Cl5N2O5S MolecularWeight: 650.78534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21Cl5N2O5S/c27-19-20(28)22(30)24(23(31)21(19)29)38-18(34)11-32-25(35)17(14-39-13-16-9-5-2-6-10-16)33-26(36)37-12-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,32,35)(H,33,36)