(2S)-2-(3H-benzimidazol-5-ylcarbonylamino)-3-(2-ethanoyl-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: (2S)-2-(3H-benzimidazol-5-ylcarbonylamino)-3-(2-ethanoyl-4-oxidanyl-phenyl)propanoic acid Openeye Name: (2S)-3-(2-acetyl-4-hydroxy-phenyl)-2-(3H-benzimidazole-5-carbonylamino)propanoic acid CAS Name: (2S)-3-(2-acetyl-4-hydroxyphenyl)-2-[[3H-benzimidazol-5-yl(oxo)methyl]amino]propanoic acid IUPAC Name: (2S)-3-(2-acetyl-4-hydroxyphenyl)-2-(3H-benzimidazole-5-carbonylamino)propanoic acid Traditional Name: (2S)-3-(2-acetyl-4-hydroxy-phenyl)-2-(3H-benzimidazole-5-carbonylamino)propionic acid Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5/c1-10(23)14-8-13(24)4-2-11(14)6-17(19(26)27)22-18(25)12-3-5-15-16(7-12)21-9-20-15/h2-5,7-9,17,24H,6H2,1H3,(H,20,21)(H,22,25)(H,26,27)/t17-/m0/s1