3-(1H-imidazol-5-yl)-2-[(4-pyrrolidin-2-ylcarbonylpiperazin-1-yl)carbonylamino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[(4-pyrrolidin-2-ylcarbonylpiperazin-1-yl)carbonylamino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-[[4-(pyrrolidine-2-carbonyl)piperazine-1-carbonyl]amino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[[oxo-[4-[oxo(2-pyrrolidinyl)methyl]-1-piperazinyl]methyl]amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[[4-(pyrrolidine-2-carbonyl)piperazine-1-carbonyl]amino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-[(4-prolylpiperazine-1-carbonyl)amino]propionic acid Formula: C16H24N6O4 MolecularWeight: 364.39956

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CCN(CC2)C(=O)NC(CC3=CN=CN3)C(=O)O

Isomeric SMILES

C1CC(NC1)C(=O)N2CCN(CC2)C(=O)NC(CC3=CN=CN3)C(=O)O

InChI

InChI=1S/C16H24N6O4/c23-14(12-2-1-3-18-12)21-4-6-22(7-5-21)16(26)20-13(15(24)25)8-11-9-17-10-19-11/h9-10,12-13,18H,1-8H2,(H,17,19)(H,20,26)(H,24,25)