(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; butanoate

Systemtic Name: (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; butanoate Openeye Name: (2S)-2-amino-5-guanidino-pentanoic acid; butanoate CAS Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; butanoate IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; butanoate Traditional Name: (2S)-2-amino-5-guanidino-valeric acid; butyrate Formula: C34H70N12O14-4 MolecularWeight: 870.9916

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)[O-].CCCC(=O)[O-].CCCC(=O)[O-].CCCC(=O)[O-].C(CC(C(=O)O)N)CN=C(N)N.C(CC(C(=O)O)N)CN=C(N)N.C(CC(C(=O)O)N)CN=C(N)N

Isomeric SMILES

CCCC(=O)[O-].CCCC(=O)[O-].CCCC(=O)[O-].CCCC(=O)[O-].C(C[C@@H](C(=O)O)N)CN=C(N)N.C(C[C@@H](C(=O)O)N)CN=C(N)N.C(C[C@@H](C(=O)O)N)CN=C(N)N

InChI

InChI=1S/3C6H14N4O2.4C4H8O2/c3*7-4(5(11)12)2-1-3-10-6(8)9;4*1-2-3-4(5)6/h3*4H,1-3,7H2,(H,11,12)(H4,8,9,10);4*2-3H2,1H3,(H,5,6)/p-4/t3*4-;;;;/m000..../s1