4-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pyridine-3-carboxylic acid

Systemtic Name: 4-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pyridine-3-carboxylic acid Openeye Name: 4-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]pyridine-3-carboxylic acid CAS Name: 4-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 4-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pyridine-3-carboxylic acid Traditional Name: 4-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]nicotinic acid Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=C(C=NC=C1)C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)NC1=C(C=NC=C1)C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H21N3O5/c1-12(2)16(22-19(26)27-11-13-6-4-3-5-7-13)17(23)21-15-8-9-20-10-14(15)18(24)25/h3-10,12,16H,11H2,1-2H3,(H,22,26)(H,24,25)(H,20,21,23)