[[2-azanyl-4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-4-oxidanylidene-butanoyl]-butyl-amino] butanoate dihydrochloride

Systemtic Name: [[2-azanyl-4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-4-oxidanylidene-butanoyl]-butyl-amino] butanoate dihydrochloride Openeye Name: [[2-amino-4-[(1-carbamimidoyl-3-piperidyl)methylamino]-4-oxo-butanoyl]-butyl-amino] butanoate dihydrochloride CAS Name: butanoic acid [[2-amino-4-[(1-carbamimidoyl-3-piperidinyl)methylamino]-1,4-dioxobutyl]-butylamino] ester dihydrochloride IUPAC Name: [[2-amino-4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-4-oxobutanoyl]-butylamino] butanoate dihydrochloride Traditional Name: butyric acid [[4-[(1-amidino-3-piperidyl)methylamino]-2-amino-4-keto-butanoyl]-butyl-amino] ester dihydrochloride Formula: C19H38Cl2N6O4 MolecularWeight: 485.44882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)C(CC(=O)NCC1CCCN(C1)C(=N)N)N)OC(=O)CCC.Cl.Cl

Isomeric SMILES

CCCCN(C(=O)C(CC(=O)NCC1CCCN(C1)C(=N)N)N)OC(=O)CCC.Cl.Cl

InChI

InChI=1S/C19H36N6O4.2ClH/c1-3-5-10-25(29-17(27)7-4-2)18(28)15(20)11-16(26)23-12-14-8-6-9-24(13-14)19(21)22;;/h14-15H,3-13,20H2,1-2H3,(H3,21,22)(H,23,26);2*1H