1-aminocarbonyl-3-[azanyl(isoquinolin-6-yl)methyl]-1-pyrrolidin-1-ylcarbonyl-3,4-dihydroisoquinoline-2-carboxylic acid

Systemtic Name: 1-aminocarbonyl-3-[azanyl(isoquinolin-6-yl)methyl]-1-pyrrolidin-1-ylcarbonyl-3,4-dihydroisoquinoline-2-carboxylic acid Openeye Name: 3-[amino(6-isoquinolyl)methyl]-1-carbamoyl-1-(pyrrolidine-1-carbonyl)-3,4-dihydroisoquinoline-2-carboxylic acid CAS Name: 3-[amino(6-isoquinolinyl)methyl]-1-carbamoyl-1-[oxo(1-pyrrolidinyl)methyl]-3,4-dihydroisoquinoline-2-carboxylic acid IUPAC Name: 3-[amino(isoquinolin-6-yl)methyl]-1-carbamoyl-1-(pyrrolidine-1-carbonyl)-3,4-dihydroisoquinoline-2-carboxylic acid Traditional Name: 3-[amino(6-isoquinolyl)methyl]-1-carbamoyl-1-(pyrrolidine-1-carbonyl)-3,4-dihydroisoquinoline-2-carboxylic acid Formula: C26H27N5O4 MolecularWeight: 473.52368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2(C3=CC=CC=C3CC(N2C(=O)O)C(C4=CC5=C(C=C4)C=NC=C5)N)C(=O)N

Isomeric SMILES

C1CCN(C1)C(=O)C2(C3=CC=CC=C3CC(N2C(=O)O)C(C4=CC5=C(C=C4)C=NC=C5)N)C(=O)N

InChI

InChI=1S/C26H27N5O4/c27-22(18-7-8-19-15-29-10-9-16(19)13-18)21-14-17-5-1-2-6-20(17)26(23(28)32,31(21)25(34)35)24(33)30-11-3-4-12-30/h1-2,5-10,13,15,21-22H,3-4,11-12,14,27H2,(H2,28,32)(H,34,35)