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

Systemtic Name: (2S)-2-acetamido-3-phenyl-propanoic acid; 5-(2-azanylethyl)-1H-imidazole-4-carboxamide Openeye Name: (2S)-2-acetamido-3-phenyl-propanoic acid; 5-(2-aminoethyl)-1H-imidazole-4-carboxamide CAS Name: (2S)-2-acetamido-3-phenylpropanoic acid; 5-(2-aminoethyl)-1H-imidazole-4-carboxamide IUPAC Name: (2S)-2-acetamido-3-phenylpropanoic acid; 5-(2-aminoethyl)-1H-imidazole-4-carboxamide Traditional Name: (2S)-2-acetamido-3-phenyl-propionic acid; 5-(2-aminoethyl)-1H-imidazole-4-carboxamide Formula: C17H23N5O4 MolecularWeight: 361.39562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO3.C6H10N4O/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9;7-2-1-4-5(6(8)11)10-3-9-4/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15);3H,1-2,7H2,(H2,8,11)(H,9,10)/t10-;/m0./s1