(E)-4-(1H-benzimidazol-2-ylcarbonylamino)-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid

Systemtic Name: (E)-4-(1H-benzimidazol-2-ylcarbonylamino)-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid Openeye Name: (E)-4-(1H-benzimidazole-2-carbonylamino)-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoic acid CAS Name: (E)-4-[[1H-benzimidazol-2-yl(oxo)methyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic acid IUPAC Name: (E)-4-(1H-benzimidazole-2-carbonylamino)-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoic acid Traditional Name: (E)-4-(1H-benzimidazole-2-carbonylamino)-5-[(3S)-2-ketopyrrolidin-3-yl]pent-2-enoic acid Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C1CC(C=CC(=O)O)NC(=O)C2=NC3=CC=CC=C3N2

Isomeric SMILES

C1CNC(=O)[C@@H]1CC(/C=C/C(=O)O)NC(=O)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C17H18N4O4/c22-14(23)6-5-11(9-10-7-8-18-16(10)24)19-17(25)15-20-12-3-1-2-4-13(12)21-15/h1-6,10-11H,7-9H2,(H,18,24)(H,19,25)(H,20,21)(H,22,23)/b6-5+/t10-,11?/m0/s1