[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] (3S)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] (3S)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] (3S)-3-acetamido-3-phenyl-propanoate CAS Name: (3S)-3-acetamido-3-phenylpropanoic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] (3S)-3-acetamido-3-phenylpropanoate Traditional Name: (3S)-3-acetamido-3-phenyl-propionic acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C18H18ClN3O4 MolecularWeight: 375.80622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O4/c1-12(23)21-15(13-6-3-2-4-7-13)10-17(25)26-11-16(24)22-14-8-5-9-20-18(14)19/h2-9,15H,10-11H2,1H3,(H,21,23)(H,22,24)/t15-/m0/s1