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

Systemtic Name: 5-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylamino]pentanoic acid Openeye Name: 5-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]amino]pentanoic acid CAS Name: 5-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 5-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]amino]pentanoic acid Traditional Name: 5-[[1-(4-amidinophenyl)isonipecotoyl]amino]valeric acid Formula: C18H26N4O3 MolecularWeight: 346.42404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCCCC(=O)O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1CN(CCC1C(=O)NCCCCC(=O)O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C18H26N4O3/c19-17(20)13-4-6-15(7-5-13)22-11-8-14(9-12-22)18(25)21-10-2-1-3-16(23)24/h4-7,14H,1-3,8-12H2,(H3,19,20)(H,21,25)(H,23,24)