propan-2-yl 3-[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]ethanoylamino]propanoate trihydrochloride

Systemtic Name: propan-2-yl 3-[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]ethanoylamino]propanoate trihydrochloride Openeye Name: isopropyl 3-[[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]acetyl]amino]propanoate trihydrochloride CAS Name: 3-[[2-[4-(4-carbamimidoylphenyl)-1-piperazinyl]-1-oxoethyl]amino]propanoic acid propan-2-yl ester trihydrochloride IUPAC Name: propan-2-yl 3-[[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]acetyl]amino]propanoate trihydrochloride Traditional Name: 3-[[2-[4-(4-amidinophenyl)piperazino]acetyl]amino]propionic acid isopropyl ester trihydrochloride Formula: C19H32Cl3N5O3 MolecularWeight: 484.84808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCNC(=O)CN1CCN(CC1)C2=CC=C(C=C2)C(=N)N.Cl.Cl.Cl

Isomeric SMILES

CC(C)OC(=O)CCNC(=O)CN1CCN(CC1)C2=CC=C(C=C2)C(=N)N.Cl.Cl.Cl

InChI

InChI=1S/C19H29N5O3.3ClH/c1-14(2)27-18(26)7-8-22-17(25)13-23-9-11-24(12-10-23)16-5-3-15(4-6-16)19(20)21;;;/h3-6,14H,7-13H2,1-2H3,(H3,20,21)(H,22,25);3*1H