2-[[(3S)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonyl-naphthalen-1-yl-amino]propanoic acid

Systemtic Name: 2-[[(3S)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonyl-naphthalen-1-yl-amino]propanoic acid Openeye Name: 2-[[(3S)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]-(1-naphthyl)amino]propanoic acid CAS Name: 2-[[[(3S)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]-(1-naphthalenyl)amino]propanoic acid IUPAC Name: 2-[[(3S)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]-naphthalen-1-ylamino]propanoic acid Traditional Name: 2-[[(3S)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]-(1-naphthyl)amino]propionic acid Formula: C31H30N2O7S MolecularWeight: 574.6441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C1=CC=CC2=CC=CC=C21)C(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CC(C(=O)O)N(C1=CC=CC2=CC=CC=C21)C(=O)[C@@H]3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C31H30N2O7S/c1-20(31(35)36)33(26-14-8-12-21-9-6-7-13-25(21)26)30(34)27-17-22-10-4-5-11-23(22)19-32(27)41(37,38)24-15-16-28(39-2)29(18-24)40-3/h4-16,18,20,27H,17,19H2,1-3H3,(H,35,36)/t20?,27-/m0/s1