(E)-5-(2-oxidanylidenepyrrolidin-3-yl)-2-[3-phenylpropanoyl-(1H-pyrrol-2-ylcarbonylamino)amino]pent-2-enoic acid

Systemtic Name: (E)-5-(2-oxidanylidenepyrrolidin-3-yl)-2-[3-phenylpropanoyl-(1H-pyrrol-2-ylcarbonylamino)amino]pent-2-enoic acid Openeye Name: (E)-5-(2-oxopyrrolidin-3-yl)-2-[3-phenylpropanoyl-(1H-pyrrole-2-carbonylamino)amino]pent-2-enoic acid CAS Name: (E)-2-[(1-oxo-3-phenylpropyl)-[[oxo(1H-pyrrol-2-yl)methyl]amino]amino]-5-(2-oxo-3-pyrrolidinyl)-2-pentenoic acid IUPAC Name: (E)-5-(2-oxopyrrolidin-3-yl)-2-[3-phenylpropanoyl-(1H-pyrrole-2-carbonylamino)amino]pent-2-enoic acid Traditional Name: (E)-2-[hydrocinnamoyl-(1H-pyrrole-2-carbonylamino)amino]-5-(2-ketopyrrolidin-3-yl)pent-2-enoic acid Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C1CCC=C(C(=O)O)N(C(=O)CCC2=CC=CC=C2)NC(=O)C3=CC=CN3

Isomeric SMILES

C1CNC(=O)C1CC/C=C(\C(=O)O)/N(C(=O)CCC2=CC=CC=C2)NC(=O)C3=CC=CN3

InChI

InChI=1S/C23H26N4O5/c28-20(12-11-16-6-2-1-3-7-16)27(26-22(30)18-9-5-14-24-18)19(23(31)32)10-4-8-17-13-15-25-21(17)29/h1-3,5-7,9-10,14,17,24H,4,8,11-13,15H2,(H,25,29)(H,26,30)(H,31,32)/b19-10+