2-[2-[[(2S)-4-methylpentan-2-yl]amino]-5-phenylazanyl-phenyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[[(2S)-4-methylpentan-2-yl]amino]-5-phenylazanyl-phenyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[5-anilino-2-[[(1S)-1,3-dimethylbutyl]amino]phenyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[5-anilino-2-[[(2S)-4-methylpentan-2-yl]amino]phenyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[5-anilino-2-[[(2S)-4-methylpentan-2-yl]amino]phenyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[5-anilino-2-[[(1S)-1,3-dimethylbutyl]amino]phenyl]thio]nicotinic acid Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)NC1=C(C=C(C=C1)NC2=CC=CC=C2)SC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C[C@@H](CC(C)C)NC1=C(C=C(C=C1)NC2=CC=CC=C2)SC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C24H27N3O2S/c1-16(2)14-17(3)26-21-12-11-19(27-18-8-5-4-6-9-18)15-22(21)30-23-20(24(28)29)10-7-13-25-23/h4-13,15-17,26-27H,14H2,1-3H3,(H,28,29)/t17-/m0/s1