(2S)-2-(ethoxycarbonylamino)-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: (2S)-2-(ethoxycarbonylamino)-3-(1H-imidazol-5-yl)propanoate Openeye Name: (2S)-2-(ethoxycarbonylamino)-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-2-(ethoxycarbonylamino)-3-(1H-imidazol-5-yl)propanoate IUPAC Name: (2S)-2-(ethoxycarbonylamino)-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2S)-2-(carbethoxyamino)-3-(1H-imidazol-5-yl)propionate Formula: C9H12N3O4- MolecularWeight: 226.20928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(CC1=CN=CN1)C(=O)[O-]

Isomeric SMILES

CCOC(=O)N[C@@H](CC1=CN=CN1)C(=O)[O-]

InChI

InChI=1S/C9H13N3O4/c1-2-16-9(15)12-7(8(13)14)3-6-4-10-5-11-6/h4-5,7H,2-3H2,1H3,(H,10,11)(H,12,15)(H,13,14)/p-1/t7-/m0/s1