3-[2-[5-[bis(azanyl)methylideneamino]pentanoylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[2-[5-[bis(azanyl)methylideneamino]pentanoylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[2-(5-guanidinopentanoylamino)acetyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[2-[[5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[2-[5-(diaminomethylideneamino)pentanoylamino]acetyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-(5-guanidinopentanoylamino)acetyl]amino]-3-(3-pyridyl)propionic acid Formula: C16H24N6O4 MolecularWeight: 364.39956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CC(=O)O)NC(=O)CNC(=O)CCCCN=C(N)N

Isomeric SMILES

C1=CC(=CN=C1)C(CC(=O)O)NC(=O)CNC(=O)CCCCN=C(N)N

InChI

InChI=1S/C16H24N6O4/c17-16(18)20-7-2-1-5-13(23)21-10-14(24)22-12(8-15(25)26)11-4-3-6-19-9-11/h3-4,6,9,12H,1-2,5,7-8,10H2,(H,21,23)(H,22,24)(H,25,26)(H4,17,18,20)