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

Systemtic Name: 2-[[(3S)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonyl-methyl-amino]-4-methyl-pentanoic acid Openeye Name: 2-[[(3S)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]-methyl-amino]-4-methyl-pentanoic acid CAS Name: 2-[[[(3S)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]-methylamino]-4-methylpentanoic acid IUPAC Name: 2-[[(3S)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]-methylamino]-4-methylpentanoic acid Traditional Name: 2-[[(3S)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]-methyl-amino]-4-methyl-valeric acid Formula: C25H32N2O7S MolecularWeight: 504.59578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(C)C(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)CC(C(=O)O)N(C)C(=O)[C@@H]1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H32N2O7S/c1-16(2)12-21(25(29)30)26(3)24(28)20-13-17-8-6-7-9-18(17)15-27(20)35(31,32)19-10-11-22(33-4)23(14-19)34-5/h6-11,14,16,20-21H,12-13,15H2,1-5H3,(H,29,30)/t20-,21?/m0/s1