3-phenyl-2-[2-[(1-pyrrolidin-2-ylcarbonylpyrrolidin-2-yl)carbonylamino]ethanoylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[2-[(1-pyrrolidin-2-ylcarbonylpyrrolidin-2-yl)carbonylamino]ethanoylamino]propanoic acid Openeye Name: 3-phenyl-2-[[2-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoic acid CAS Name: 2-[[1-oxo-2-[[oxo-[1-[oxo(2-pyrrolidinyl)methyl]-2-pyrrolidinyl]methyl]amino]ethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[[2-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoic acid Traditional Name: 3-phenyl-2-[[2-[(1-prolylprolyl)amino]acetyl]amino]propionic acid Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CCCC2C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(NC1)C(=O)N2CCCC2C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H28N4O5/c26-18(24-16(21(29)30)12-14-6-2-1-3-7-14)13-23-19(27)17-9-5-11-25(17)20(28)15-8-4-10-22-15/h1-3,6-7,15-17,22H,4-5,8-13H2,(H,23,27)(H,24,26)(H,29,30)