2-[[(4S)-4-carboxy-5-methyl-hexanoyl]amino]benzoic acid

Systemtic Name: 2-[[(4S)-4-carboxy-5-methyl-hexanoyl]amino]benzoic acid Openeye Name: 2-[[(4S)-4-carboxy-5-methyl-hexanoyl]amino]benzoic acid CAS Name: 2-[[(4S)-4-carboxy-5-methyl-1-oxohexyl]amino]benzoic acid IUPAC Name: 2-[[(4S)-4-carboxy-5-methylhexanoyl]amino]benzoic acid Traditional Name: 2-[[(4S)-4-carboxy-5-methyl-hexanoyl]amino]benzoic acid Formula: C15H19NO5 MolecularWeight: 293.31506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(=O)NC1=CC=CC=C1C(=O)O)C(=O)O

Isomeric SMILES

CC(C)[C@H](CCC(=O)NC1=CC=CC=C1C(=O)O)C(=O)O

InChI

InChI=1S/C15H19NO5/c1-9(2)10(14(18)19)7-8-13(17)16-12-6-4-3-5-11(12)15(20)21/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)/t10-/m0/s1