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

Systemtic Name: ethyl 3-[[2-azanyl-4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-4-oxidanylidene-butanoyl]-butyl-amino]propanoate dihydrochloride Openeye Name: ethyl 3-[[2-amino-4-[(1-carbamimidoyl-3-piperidyl)methylamino]-4-oxo-butanoyl]-butyl-amino]propanoate dihydrochloride CAS Name: 3-[[2-amino-4-[(1-carbamimidoyl-3-piperidinyl)methylamino]-1,4-dioxobutyl]-butylamino]propanoic acid ethyl ester dihydrochloride IUPAC Name: ethyl 3-[[2-amino-4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-4-oxobutanoyl]-butylamino]propanoate dihydrochloride Traditional Name: 3-[[4-[(1-amidino-3-piperidyl)methylamino]-2-amino-4-keto-butanoyl]-butyl-amino]propionic acid ethyl ester dihydrochloride Formula: C20H40Cl2N6O4 MolecularWeight: 499.4754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H38N6O4.2ClH/c1-3-5-9-25(11-8-18(28)30-4-2)19(29)16(21)12-17(27)24-13-15-7-6-10-26(14-15)20(22)23;;/h15-16H,3-14,21H2,1-2H3,(H3,22,23)(H,24,27);2*1H