5-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylamino]pentanoic acid

Systemtic Name: 5-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylamino]pentanoic acid Openeye Name: 5-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]pentanoic acid CAS Name: 5-[[[4-(4-carbamimidoylphenyl)-1-piperazinyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 5-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]pentanoic acid Traditional Name: 5-[[4-(4-amidinophenyl)piperazine-1-carbonyl]amino]valeric acid Formula: C17H25N5O3 MolecularWeight: 347.4121

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=N)N)C(=O)NCCCCC(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=N)N)C(=O)NCCCCC(=O)O

InChI

InChI=1S/C17H25N5O3/c18-16(19)13-4-6-14(7-5-13)21-9-11-22(12-10-21)17(25)20-8-2-1-3-15(23)24/h4-7H,1-3,8-12H2,(H3,18,19)(H,20,25)(H,23,24)