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

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-(octanoylamino)propanoic acid Openeye Name: 2-amino-5-guanidino-pentanoic acid; 2-(octanoylamino)propanoic acid CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-(1-oxooctylamino)propanoic acid IUPAC Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-(octanoylamino)propanoic acid Traditional Name: 2-amino-5-guanidino-valeric acid; 2-(caprylylamino)propionic acid Formula: C17H35N5O5 MolecularWeight: 389.4903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(C)C(=O)O.C(CC(C(=O)O)N)CN=C(N)N

Isomeric SMILES

CCCCCCCC(=O)NC(C)C(=O)O.C(CC(C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C11H21NO3.C6H14N4O2/c1-3-4-5-6-7-8-10(13)12-9(2)11(14)15;7-4(5(11)12)2-1-3-10-6(8)9/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15);4H,1-3,7H2,(H,11,12)(H4,8,9,10)