3-[2-[4-[bis(azanyl)methylideneamino]butanoylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[2-[4-[bis(azanyl)methylideneamino]butanoylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[2-(4-guanidinobutanoylamino)acetyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[2-[[4-(diaminomethylideneamino)-1-oxobutyl]amino]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[2-[4-(diaminomethylideneamino)butanoylamino]acetyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-(4-guanidinobutanoylamino)acetyl]amino]-3-(3-pyridyl)propionic acid Formula: C15H22N6O4 MolecularWeight: 350.37298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N6O4/c16-15(17)19-6-2-4-12(22)20-9-13(23)21-11(7-14(24)25)10-3-1-5-18-8-10/h1,3,5,8,11H,2,4,6-7,9H2,(H,20,22)(H,21,23)(H,24,25)(H4,16,17,19)