[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C20H19ClN4O4 MolecularWeight: 414.84226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC(=O)NC3=C(N=CC=C3)Cl

Isomeric SMILES

CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCC(=O)NC3=C(N=CC=C3)Cl

InChI

InChI=1S/C20H19ClN4O4/c1-12(26)24-17(9-13-10-23-15-6-3-2-5-14(13)15)20(28)29-11-18(27)25-16-7-4-8-22-19(16)21/h2-8,10,17,23H,9,11H2,1H3,(H,24,26)(H,25,27)/t17-/m0/s1