2-[[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]-(phenylcarbonyl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]-(phenylcarbonyl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[benzoyl-[(5-oxopyrrolidine-2-carbonyl)amino]amino]-3-phenyl-propanoic acid CAS Name: 2-[benzoyl-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]amino]-3-phenylpropanoic acid IUPAC Name: 2-[benzoyl-[(5-oxopyrrolidine-2-carbonyl)amino]amino]-3-phenylpropanoic acid Traditional Name: 2-[benzoyl-(pyroglutamoylamino)amino]-3-phenyl-propionic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC1C(=O)NN(C(CC2=CC=CC=C2)C(=O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC(=O)NC1C(=O)NN(C(CC2=CC=CC=C2)C(=O)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O5/c25-18-12-11-16(22-18)19(26)23-24(20(27)15-9-5-2-6-10-15)17(21(28)29)13-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,22,25)(H,23,26)(H,28,29)