6-[2-azanyl-3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propanoyl]-4-methyl-1-[[2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]-2,5-dihydropyridine-6-carboxylic acid

Systemtic Name: 6-[2-azanyl-3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propanoyl]-4-methyl-1-[[2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]-2,5-dihydropyridine-6-carboxylic acid Openeye Name: 6-[2-amino-3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propanoyl]-4-methyl-1-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]-2,5-dihydropyridine-6-carboxylic acid CAS Name: 6-[2-amino-1-oxo-3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]-4-methyl-1-[[2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]-2,5-dihydropyridine-6-carboxylic acid IUPAC Name: 6-[2-amino-3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propanoyl]-4-methyl-1-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]-2,5-dihydropyridine-6-carboxylic acid Traditional Name: 6-[2-amino-3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propanoyl]-4-methyl-1-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]-2,5-dihydropyridine-6-carboxylic acid Formula: C33H37F3N4O6S MolecularWeight: 674.73029

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCN(C(C1)(C(=O)C(CC2=CCCN(C2)CC3=CC=CC=C3)N)C(=O)O)S(=O)(=O)C4=CC5=C(CCN(C5)C(=O)C(F)(F)F)C=C4

Isomeric SMILES

CC1=CCN(C(C1)(C(=O)C(CC2=CCCN(C2)CC3=CC=CC=C3)N)C(=O)O)S(=O)(=O)C4=CC5=C(CCN(C5)C(=O)C(F)(F)F)C=C4

InChI

InChI=1S/C33H37F3N4O6S/c1-22-11-15-40(47(45,46)27-10-9-25-12-14-39(21-26(25)17-27)30(42)33(34,35)36)32(18-22,31(43)44)29(41)28(37)16-24-8-5-13-38(20-24)19-23-6-3-2-4-7-23/h2-4,6-11,17,28H,5,12-16,18-21,37H2,1H3,(H,43,44)