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

Systemtic Name: [2,4,5-tris(chloranyl)phenyl] (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: (2,4,5-trichlorophenyl) (2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoate CAS Name: (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid (2,4,5-trichlorophenyl) ester IUPAC Name: (2,4,5-trichlorophenyl) (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-valeric acid (2,4,5-trichlorophenyl) ester Formula: C20H20Cl3NO4 MolecularWeight: 444.7361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20Cl3NO4/c1-3-12(2)18(24-20(26)27-11-13-7-5-4-6-8-13)19(25)28-17-10-15(22)14(21)9-16(17)23/h4-10,12,18H,3,11H2,1-2H3,(H,24,26)/t12-,18-/m0/s1