3-[[1-[3-(1-carbamimidoylpiperidin-4-yl)propanoyl]piperidin-3-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[1-[3-(1-carbamimidoylpiperidin-4-yl)propanoyl]piperidin-3-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-[3-(1-carbamimidoyl-4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-[3-(1-carbamimidoyl-4-piperidinyl)-1-oxopropyl]-3-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-[3-(1-carbamimidoylpiperidin-4-yl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-[3-(1-amidino-4-piperidyl)propanoyl]nipecotoyl]amino]propionic acid Formula: C18H31N5O4 MolecularWeight: 381.46984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2CCN(CC2)C(=N)N)C(=O)NCCC(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CCC2CCN(CC2)C(=N)N)C(=O)NCCC(=O)O

InChI

InChI=1S/C18H31N5O4/c19-18(20)22-10-6-13(7-11-22)3-4-15(24)23-9-1-2-14(12-23)17(27)21-8-5-16(25)26/h13-14H,1-12H2,(H3,19,20)(H,21,27)(H,25,26)