[2,3,4,5,6-pentakis(chloranyl)phenyl] (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: [2,3,4,5,6-pentakis(chloranyl)phenyl] (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: (2,3,4,5,6-pentachlorophenyl) (2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoate CAS Name: (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid (2,3,4,5,6-pentachlorophenyl) ester IUPAC Name: (2,3,4,5,6-pentachlorophenyl) (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-valeric acid (2,3,4,5,6-pentachlorophenyl) ester Formula: C20H18Cl5NO4 MolecularWeight: 513.62622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H18Cl5NO4/c1-3-10(2)17(26-20(28)29-9-11-7-5-4-6-8-11)19(27)30-18-15(24)13(22)12(21)14(23)16(18)25/h4-8,10,17H,3,9H2,1-2H3,(H,26,28)/t10-,17-/m0/s1