5-(2-azanylethyl)-1H-imidazole-4-carboxamide; (2S)-2-(methylamino)-3-phenyl-propanoic acid

Systemtic Name: 5-(2-azanylethyl)-1H-imidazole-4-carboxamide; (2S)-2-(methylamino)-3-phenyl-propanoic acid Openeye Name: 5-(2-aminoethyl)-1H-imidazole-4-carboxamide; (2S)-2-(methylamino)-3-phenyl-propanoic acid CAS Name: 5-(2-aminoethyl)-1H-imidazole-4-carboxamide; (2S)-2-(methylamino)-3-phenylpropanoic acid IUPAC Name: 5-(2-aminoethyl)-1H-imidazole-4-carboxamide; (2S)-2-(methylamino)-3-phenylpropanoic acid Traditional Name: 5-(2-aminoethyl)-1H-imidazole-4-carboxamide; (2S)-2-(methylamino)-3-phenyl-propionic acid Formula: C16H23N5O3 MolecularWeight: 333.38552

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC1=CC=CC=C1)C(=O)O.C1=NC(=C(N1)CCN)C(=O)N

Isomeric SMILES

CN[C@@H](CC1=CC=CC=C1)C(=O)O.C1=NC(=C(N1)CCN)C(=O)N

InChI

InChI=1S/C10H13NO2.C6H10N4O/c1-11-9(10(12)13)7-8-5-3-2-4-6-8;7-2-1-4-5(6(8)11)10-3-9-4/h2-6,9,11H,7H2,1H3,(H,12,13);3H,1-2,7H2,(H2,8,11)(H,9,10)/t9-;/m0./s1