methyl 3-[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]ethanoylamino]propanoate hydrochloride

Systemtic Name: methyl 3-[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]ethanoylamino]propanoate hydrochloride Openeye Name: methyl 3-[[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]acetyl]amino]propanoate hydrochloride CAS Name: 3-[[2-[4-(4-carbamimidoylphenyl)-1-piperazinyl]-1-oxoethyl]amino]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]acetyl]amino]propanoate hydrochloride Traditional Name: 3-[[2-[4-(4-amidinophenyl)piperazino]acetyl]amino]propionic acid methyl ester hydrochloride Formula: C17H26ClN5O3 MolecularWeight: 383.87304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O3.ClH/c1-25-16(24)6-7-20-15(23)12-21-8-10-22(11-9-21)14-4-2-13(3-5-14)17(18)19;/h2-5H,6-12H2,1H3,(H3,18,19)(H,20,23);1H