2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 3-(hexadecanoylamino)propanoic acid

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 3-(hexadecanoylamino)propanoic acid Openeye Name: 2-amino-5-guanidino-pentanoic acid; 3-(hexadecanoylamino)propanoic acid CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 3-(1-oxohexadecylamino)propanoic acid IUPAC Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 3-(hexadecanoylamino)propanoic acid Traditional Name: 2-amino-5-guanidino-valeric acid; 3-palmitamidopropionic acid Formula: C25H51N5O5 MolecularWeight: 501.70294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NCCC(=O)O.C(CC(C(=O)O)N)CN=C(N)N

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NCCC(=O)O.C(CC(C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C19H37NO3.C6H14N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)20-17-16-19(22)23;7-4(5(11)12)2-1-3-10-6(8)9/h2-17H2,1H3,(H,20,21)(H,22,23);4H,1-3,7H2,(H,11,12)(H4,8,9,10)