2-[[(3S)-2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]hexanoic acid

Systemtic Name: 2-[[(3S)-2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]hexanoic acid Openeye Name: 2-[[(3S)-2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid CAS Name: 2-[[[(3S)-2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[[(3S)-2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid Traditional Name: 2-[[(3S)-2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)[C@@H]1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C24H29N3O6S/c1-3-4-9-21(24(30)31)26-23(29)22-14-17-7-5-6-8-18(17)15-27(22)34(32,33)20-12-10-19(11-13-20)25-16(2)28/h5-8,10-13,21-22H,3-4,9,14-15H2,1-2H3,(H,25,28)(H,26,29)(H,30,31)/t21?,22-/m0/s1