1-(3-azanylpropanoyl)-4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-(3-azanylpropanoyl)-4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidine-4-carboxylic acid Openeye Name: 1-(3-aminopropanoyl)-4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidine-4-carboxylic acid CAS Name: 1-(3-amino-1-oxopropyl)-4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(3-aminopropanoyl)-4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidine-4-carboxylic acid Traditional Name: 4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(3-aminopropanoyl)isonipecotic acid Formula: C20H29N5O4 MolecularWeight: 403.47536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)OCC3(CCN(CC3)C(=O)CCN)C(=O)O)C(=N)N

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)OCC3(CCN(CC3)C(=O)CCN)C(=O)O)C(=N)N

InChI

InChI=1S/C20H29N5O4/c21-7-3-17(26)24-9-5-20(6-10-24,18(27)28)13-29-16-2-1-14-4-8-25(19(22)23)12-15(14)11-16/h1-2,11H,3-10,12-13,21H2,(H3,22,23)(H,27,28)