methyl (2S)-2-azanyl-3-[1-(phenylmethyl)imidazol-4-yl]propanoate dihydrochloride

Systemtic Name: methyl (2S)-2-azanyl-3-[1-(phenylmethyl)imidazol-4-yl]propanoate dihydrochloride Openeye Name: methyl (2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoate dihydrochloride CAS Name: (2S)-2-amino-3-[1-(phenylmethyl)-4-imidazolyl]propanoic acid methyl ester dihydrochloride IUPAC Name: methyl (2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoate dihydrochloride Traditional Name: (2S)-2-amino-3-(1-benzylimidazol-4-yl)propionic acid methyl ester dihydrochloride Formula: C14H19Cl2N3O2 MolecularWeight: 332.22556

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN(C=N1)CC2=CC=CC=C2)N.Cl.Cl

Isomeric SMILES

COC(=O)[C@H](CC1=CN(C=N1)CC2=CC=CC=C2)N.Cl.Cl

InChI

InChI=1S/C14H17N3O2.2ClH/c1-19-14(18)13(15)7-12-9-17(10-16-12)8-11-5-3-2-4-6-11;;/h2-6,9-10,13H,7-8,15H2,1H3;2*1H/t13-;;/m0../s1