2-azanyl-4-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]-3-oxidanylidene-butanoic acid

Systemtic Name: 2-azanyl-4-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]-3-oxidanylidene-butanoic acid Openeye Name: 2-amino-4-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidyl]-3-oxo-butanoic acid CAS Name: 2-amino-4-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidinyl]-3-oxobutanoic acid IUPAC Name: 2-amino-4-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]-3-oxobutanoic acid Traditional Name: 4-[4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidino]-2-amino-3-keto-butyric acid Formula: C20H29N5O4 MolecularWeight: 403.47536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)CC(=O)C(C(=O)O)N

Isomeric SMILES

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)CC(=O)C(C(=O)O)N

InChI

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