(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; dodecane-1-sulfonic acid

Systemtic Name: (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; dodecane-1-sulfonic acid Openeye Name: (2S)-2-amino-5-guanidino-pentanoic acid; dodecane-1-sulfonic acid CAS Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; 1-dodecanesulfonic acid IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; dodecane-1-sulfonic acid Traditional Name: (2S)-2-amino-5-guanidino-valeric acid; dodecane-1-sulfonic acid Formula: C18H40N4O5S MolecularWeight: 424.599

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)O.C(CC(C(=O)O)N)CN=C(N)N

Isomeric SMILES

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

InChI

InChI=1S/C12H26O3S.C6H14N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;7-4(5(11)12)2-1-3-10-6(8)9/h2-12H2,1H3,(H,13,14,15);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t;4-/m.0/s1