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

Systemtic Name: 5-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[1-(4-carbamimidoylphenyl)-4-piperidyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[1-(4-carbamimidoylphenyl)-4-piperidinyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[1-(4-amidinophenyl)-4-piperidyl]amino]-5-keto-valeric acid Formula: C17H24N4O3 MolecularWeight: 332.39746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)CCCC(=O)O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1CN(CCC1NC(=O)CCCC(=O)O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C17H24N4O3/c18-17(19)12-4-6-14(7-5-12)21-10-8-13(9-11-21)20-15(22)2-1-3-16(23)24/h4-7,13H,1-3,8-11H2,(H3,18,19)(H,20,22)(H,23,24)