5-[bis(azanyl)methylideneamino]-2-(propanoylamino)pentanoic acid; ethanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-(propanoylamino)pentanoic acid; ethanoic acid Openeye Name: acetic acid; 5-guanidino-2-(propanoylamino)pentanoic acid CAS Name: acetic acid; 5-(diaminomethylideneamino)-2-(1-oxopropylamino)pentanoic acid IUPAC Name: acetic acid; 5-(diaminomethylideneamino)-2-(propanoylamino)pentanoic acid Traditional Name: acetic acid; 5-guanidino-2-propionamido-valeric acid Formula: C11H22N4O5 MolecularWeight: 290.31618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(CCCN=C(N)N)C(=O)O.CC(=O)O

Isomeric SMILES

CCC(=O)NC(CCCN=C(N)N)C(=O)O.CC(=O)O

InChI

InChI=1S/C9H18N4O3.C2H4O2/c1-2-7(14)13-6(8(15)16)4-3-5-12-9(10)11;1-2(3)4/h6H,2-5H2,1H3,(H,13,14)(H,15,16)(H4,10,11,12);1H3,(H,3,4)