2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carbaldehyde

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carbaldehyde Openeye Name: 2-amino-5-guanidino-pentanoic acid; 3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde IUPAC Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde Traditional Name: 2-amino-5-guanidino-valeric acid; 3-hydroxy-2-methyl-5-methylol-isonicotinaldehyde Formula: C14H23N5O5 MolecularWeight: 341.36292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C=O)CO.C(CC(C(=O)O)N)CN=C(N)N

Isomeric SMILES

CC1=NC=C(C(=C1O)C=O)CO.C(CC(C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C8H9NO3.C6H14N4O2/c1-5-8(12)7(4-11)6(3-10)2-9-5;7-4(5(11)12)2-1-3-10-6(8)9/h2,4,10,12H,3H2,1H3;4H,1-3,7H2,(H,11,12)(H4,8,9,10)