methyl 2-[[4-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[4-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[4-[(5-oxopyrrolidine-2-carbonyl)amino]benzoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[oxo-[4-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]phenyl]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(5-oxopyrrolidine-2-carbonyl)amino]benzoyl]amino]-3-phenylpropanoate Traditional Name: 3-phenyl-2-[[4-(pyroglutamoylamino)benzoyl]amino]propionic acid methyl ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3CCC(=O)N3

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3CCC(=O)N3

InChI

InChI=1S/C22H23N3O5/c1-30-22(29)18(13-14-5-3-2-4-6-14)25-20(27)15-7-9-16(10-8-15)23-21(28)17-11-12-19(26)24-17/h2-10,17-18H,11-13H2,1H3,(H,23,28)(H,24,26)(H,25,27)