5-azanyl-2-(2-azanylpropanoylamino)-5-oxidanylidene-pentanoic acid; 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 5-azanyl-2-(2-azanylpropanoylamino)-5-oxidanylidene-pentanoic acid; 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 5-amino-2-(2-aminopropanoylamino)-5-oxo-pentanoic acid; 2-amino-5-guanidino-pentanoic acid CAS Name: 5-amino-2-[(2-amino-1-oxopropyl)amino]-5-oxopentanoic acid; 2-amino-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 5-amino-2-(2-aminopropanoylamino)-5-oxopentanoic acid; 2-amino-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-(alanylamino)-5-amino-5-keto-valeric acid; 2-amino-5-guanidino-valeric acid Formula: C14H29N7O6 MolecularWeight: 391.42336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H15N3O4.C6H14N4O2/c1-4(9)7(13)11-5(8(14)15)2-3-6(10)12;7-4(5(11)12)2-1-3-10-6(8)9/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15);4H,1-3,7H2,(H,11,12)(H4,8,9,10)