3-methyl-2-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonylamino]pentanoic acid Openeye Name: 3-methyl-2-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]pentanoic acid CAS Name: 3-methyl-2-[[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-oxomethyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]pentanoic acid Traditional Name: 2-[(1-mesyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]-3-methyl-valeric acid Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C

InChI

InChI=1S/C17H24N2O5S/c1-4-11(2)15(17(21)22)18-16(20)13-7-8-14-12(10-13)6-5-9-19(14)25(3,23)24/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,18,20)(H,21,22)