(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide Openeye Name: (2S)-2-amino-5-guanidino-pentanoic acid; 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide CAS Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide Traditional Name: (2S)-2-amino-5-guanidino-valeric acid; 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide Formula: C20H36N6O3 MolecularWeight: 408.53824

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(=O)NC1=C(C=CC=C1C)C.C(CC(C(=O)O)N)CN=C(N)N

Isomeric SMILES

CCN(CC)CC(=O)NC1=C(C=CC=C1C)C.C(C[C@@H](C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C14H22N2O.C6H14N4O2/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;7-4(5(11)12)2-1-3-10-6(8)9/h7-9H,5-6,10H2,1-4H3,(H,15,17);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t;4-/m.0/s1