6-[[(2S)-2-(4-cyclobutylsulfonylimidazol-1-yl)-3-cyclopentyl-propanoyl]amino]pyridine-3-carboxylic acid

Systemtic Name: 6-[[(2S)-2-(4-cyclobutylsulfonylimidazol-1-yl)-3-cyclopentyl-propanoyl]amino]pyridine-3-carboxylic acid Openeye Name: 6-[[(2S)-2-(4-cyclobutylsulfonylimidazol-1-yl)-3-cyclopentyl-propanoyl]amino]pyridine-3-carboxylic acid CAS Name: 6-[[(2S)-2-(4-cyclobutylsulfonyl-1-imidazolyl)-3-cyclopentyl-1-oxopropyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[(2S)-2-(4-cyclobutylsulfonylimidazol-1-yl)-3-cyclopentylpropanoyl]amino]pyridine-3-carboxylic acid Traditional Name: 6-[[(2S)-2-(4-cyclobutylsulfonylimidazol-1-yl)-3-cyclopentyl-propanoyl]amino]nicotinic acid Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(C(=O)NC2=NC=C(C=C2)C(=O)O)N3C=C(N=C3)S(=O)(=O)C4CCC4

Isomeric SMILES

C1CCC(C1)C[C@@H](C(=O)NC2=NC=C(C=C2)C(=O)O)N3C=C(N=C3)S(=O)(=O)C4CCC4

InChI

InChI=1S/C21H26N4O5S/c26-20(24-18-9-8-15(11-22-18)21(27)28)17(10-14-4-1-2-5-14)25-12-19(23-13-25)31(29,30)16-6-3-7-16/h8-9,11-14,16-17H,1-7,10H2,(H,27,28)(H,22,24,26)/t17-/m0/s1