2-[carboxy-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[carboxy-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[carboxy-[2-[4-(4-pyridyl)thiazol-2-yl]ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[carboxy-[2-(4-pyridin-4-yl-2-thiazolyl)ethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[carboxy-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]amino]-4-methylpentanoic acid Traditional Name: 2-[carboxy-[2-[4-(4-pyridyl)thiazol-2-yl]ethyl]amino]-4-methyl-valeric acid Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(CCC1=NC(=CS1)C2=CC=NC=C2)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)N(CCC1=NC(=CS1)C2=CC=NC=C2)C(=O)O

InChI

InChI=1S/C17H21N3O4S/c1-11(2)9-14(16(21)22)20(17(23)24)8-5-15-19-13(10-25-15)12-3-6-18-7-4-12/h3-4,6-7,10-11,14H,5,8-9H2,1-2H3,(H,21,22)(H,23,24)