(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; methyl pyridine-3-carboxylate

Systemtic Name: (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; methyl pyridine-3-carboxylate Openeye Name: (2S)-2-amino-5-guanidino-pentanoic acid; methyl pyridine-3-carboxylate CAS Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; 3-pyridinecarboxylic acid methyl ester IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; methyl pyridine-3-carboxylate Traditional Name: (2S)-2-amino-5-guanidino-valeric acid; nicotinic acid methyl ester Formula: C13H21N5O4 MolecularWeight: 311.33694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=CC=C1.C(CC(C(=O)O)N)CN=C(N)N

Isomeric SMILES

COC(=O)C1=CN=CC=C1.C(C[C@@H](C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C7H7NO2.C6H14N4O2/c1-10-7(9)6-3-2-4-8-5-6;7-4(5(11)12)2-1-3-10-6(8)9/h2-5H,1H3;4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t;4-/m.0/s1