[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C20H22ClN3O5 MolecularWeight: 419.85878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=C(N=CC=C1)Cl)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1=C(N=CC=C1)Cl)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H22ClN3O5/c1-13(2)17(24-20(27)29-11-14-7-4-3-5-8-14)19(26)28-12-16(25)23-15-9-6-10-22-18(15)21/h3-10,13,17H,11-12H2,1-2H3,(H,23,25)(H,24,27)/t17-/m0/s1