[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: [2-oxo-2-(5-quinolylamino)ethyl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [2-oxo-2-(5-quinolinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(quinolin-5-ylamino)ethyl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(m-toluoylamino)butyric acid [2-keto-2-(5-quinolylamino)ethyl] ester Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)NC2=CC=CC3=C2C=CC=N3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NC2=CC=CC3=C2C=CC=N3

InChI

InChI=1S/C24H25N3O4/c1-15(2)22(27-23(29)17-8-4-7-16(3)13-17)24(30)31-14-21(28)26-20-11-5-10-19-18(20)9-6-12-25-19/h4-13,15,22H,14H2,1-3H3,(H,26,28)(H,27,29)/t22-/m0/s1