2-azanyl-3-[2-[bis(azanyl)methylideneamino]-3-ethyl-phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-[bis(azanyl)methylideneamino]-3-ethyl-phenyl]propanoic acid Openeye Name: 2-amino-3-(3-ethyl-2-guanidino-phenyl)propanoic acid CAS Name: 2-amino-3-[2-(diaminomethylideneamino)-3-ethylphenyl]propanoic acid IUPAC Name: 2-amino-3-[2-(diaminomethylideneamino)-3-ethylphenyl]propanoic acid Traditional Name: 2-amino-3-(3-ethyl-2-guanidino-phenyl)propionic acid Formula: C12H18N4O2 MolecularWeight: 250.29692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC(C(=O)O)N)N=C(N)N

Isomeric SMILES

CCC1=C(C(=CC=C1)CC(C(=O)O)N)N=C(N)N

InChI

InChI=1S/C12H18N4O2/c1-2-7-4-3-5-8(6-9(13)11(17)18)10(7)16-12(14)15/h3-5,9H,2,6,13H2,1H3,(H,17,18)(H4,14,15,16)