(2S)-2-(3H-benzimidazol-5-ylcarbonylamino)-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-(3H-benzimidazol-5-ylcarbonylamino)-3-phenyl-propanoic acid Openeye Name: (2S)-2-(3H-benzimidazole-5-carbonylamino)-3-phenyl-propanoic acid CAS Name: (2S)-2-[[3H-benzimidazol-5-yl(oxo)methyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-(3H-benzimidazole-5-carbonylamino)-3-phenylpropanoic acid Traditional Name: (2S)-2-(3H-benzimidazole-5-carbonylamino)-3-phenyl-propionic acid Formula: C17H15N3O3 MolecularWeight: 309.3193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC3=C(C=C2)N=CN3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C17H15N3O3/c21-16(12-6-7-13-14(9-12)19-10-18-13)20-15(17(22)23)8-11-4-2-1-3-5-11/h1-7,9-10,15H,8H2,(H,18,19)(H,20,21)(H,22,23)/t15-/m0/s1