(2S)-2-[[(3S)-2-(2,4-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonyl-isoquinolin-3-ylcarbonyl-amino]hexanoic acid

Systemtic Name: (2S)-2-[[(3S)-2-(2,4-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonyl-isoquinolin-3-ylcarbonyl-amino]hexanoic acid Openeye Name: (2S)-2-[[(3S)-2-(2,4-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]-(isoquinoline-3-carbonyl)amino]hexanoic acid CAS Name: (2S)-2-[[[(3S)-2-(2,4-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]-[3-isoquinolinyl(oxo)methyl]amino]hexanoic acid IUPAC Name: (2S)-2-[[(3S)-2-(2,4-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]-(isoquinoline-3-carbonyl)amino]hexanoic acid Traditional Name: (2S)-2-[[(3S)-2-(2,4-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]-(isoquinoline-3-carbonyl)amino]hexanoic acid Formula: C32H29Cl2N3O6S MolecularWeight: 654.56016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)N(C(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=C(C=C(C=C3)Cl)Cl)C(=O)C4=CC5=CC=CC=C5C=N4

Isomeric SMILES

CCCC[C@@H](C(=O)O)N(C(=O)[C@@H]1CC2=CC=CC=C2CN1S(=O)(=O)C3=C(C=C(C=C3)Cl)Cl)C(=O)C4=CC5=CC=CC=C5C=N4

InChI

InChI=1S/C32H29Cl2N3O6S/c1-2-3-12-27(32(40)41)37(30(38)26-15-20-8-4-6-10-22(20)18-35-26)31(39)28-16-21-9-5-7-11-23(21)19-36(28)44(42,43)29-14-13-24(33)17-25(29)34/h4-11,13-15,17-18,27-28H,2-3,12,16,19H2,1H3,(H,40,41)/t27-,28-/m0/s1