methyl 5-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylamino]pentanoate hydrochloride

Systemtic Name: methyl 5-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylamino]pentanoate hydrochloride Openeye Name: methyl 5-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]pentanoate hydrochloride CAS Name: 5-[[[4-(4-carbamimidoylphenyl)-1-piperazinyl]-oxomethyl]amino]pentanoic acid methyl ester hydrochloride IUPAC Name: methyl 5-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]pentanoate hydrochloride Traditional Name: 5-[[4-(4-amidinophenyl)piperazine-1-carbonyl]amino]valeric acid methyl ester hydrochloride Formula: C18H28ClN5O3 MolecularWeight: 397.89962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCNC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=N)N.Cl

Isomeric SMILES

COC(=O)CCCCNC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=N)N.Cl

InChI

InChI=1S/C18H27N5O3.ClH/c1-26-16(24)4-2-3-9-21-18(25)23-12-10-22(11-13-23)15-7-5-14(6-8-15)17(19)20;/h5-8H,2-4,9-13H2,1H3,(H3,19,20)(H,21,25);1H