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

Systemtic Name: 5-(2-azanylethyl)-1H-imidazole-4-carboxamide; (2S)-2-azanyl-3-phenylmethoxy-propanoic acid Openeye Name: (2S)-2-amino-3-benzyloxy-propanoic acid; 5-(2-aminoethyl)-1H-imidazole-4-carboxamide CAS Name: 5-(2-aminoethyl)-1H-imidazole-4-carboxamide; (2S)-2-amino-3-phenylmethoxypropanoic acid IUPAC Name: 5-(2-aminoethyl)-1H-imidazole-4-carboxamide; (2S)-2-amino-3-phenylmethoxypropanoic acid Traditional Name: (2S)-2-amino-3-benzoxy-propionic acid; 5-(2-aminoethyl)-1H-imidazole-4-carboxamide Formula: C16H23N5O4 MolecularWeight: 349.38492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO3.C6H10N4O/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8;7-2-1-4-5(6(8)11)10-3-9-4/h1-5,9H,6-7,11H2,(H,12,13);3H,1-2,7H2,(H2,8,11)(H,9,10)/t9-;/m0./s1