3-[[3-[3-(1-carbamimidoylpiperidin-4-yl)propanoylamino]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[3-[3-(1-carbamimidoylpiperidin-4-yl)propanoylamino]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[3-[3-(1-carbamimidoyl-4-piperidyl)propanoylamino]benzoyl]amino]propanoic acid CAS Name: 3-[[[3-[[3-(1-carbamimidoyl-4-piperidinyl)-1-oxopropyl]amino]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[3-[3-(1-carbamimidoylpiperidin-4-yl)propanoylamino]benzoyl]amino]propanoic acid Traditional Name: 3-[[3-[3-(1-amidino-4-piperidyl)propanoylamino]benzoyl]amino]propionic acid Formula: C19H27N5O4 MolecularWeight: 389.44878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC(=O)NC2=CC=CC(=C2)C(=O)NCCC(=O)O)C(=N)N

Isomeric SMILES

C1CN(CCC1CCC(=O)NC2=CC=CC(=C2)C(=O)NCCC(=O)O)C(=N)N

InChI

InChI=1S/C19H27N5O4/c20-19(21)24-10-7-13(8-11-24)4-5-16(25)23-15-3-1-2-14(12-15)18(28)22-9-6-17(26)27/h1-3,12-13H,4-11H2,(H3,20,21)(H,22,28)(H,23,25)(H,26,27)