(2S,3S)-3-methyl-2-(quinolin-2-ylcarbonylamino)pentanoic acid

Systemtic Name: (2S,3S)-3-methyl-2-(quinolin-2-ylcarbonylamino)pentanoic acid Openeye Name: (2S,3S)-3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid CAS Name: (2S,3S)-3-methyl-2-[[oxo(2-quinolinyl)methyl]amino]pentanoic acid IUPAC Name: (2S,3S)-3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid Traditional Name: (2S,3S)-3-methyl-2-(quinaldoylamino)valeric acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)C1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C16H18N2O3/c1-3-10(2)14(16(20)21)18-15(19)13-9-8-11-6-4-5-7-12(11)17-13/h4-10,14H,3H2,1-2H3,(H,18,19)(H,20,21)/t10-,14-/m0/s1