methyl (2S)-3-methyl-2-[[2-[[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]methyl]quinazolin-4-yl]amino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[[2-[[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]methyl]quinazolin-4-yl]amino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[2-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]quinazolin-4-yl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[2-[[[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]methyl]-4-quinazolinyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[2-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]quinazolin-4-yl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-[(pyroglutamoylamino)methyl]quinazolin-4-yl]amino]butyric acid methyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC1=NC(=NC2=CC=CC=C21)CNC(=O)C3CCC(=O)N3

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC1=NC(=NC2=CC=CC=C21)CNC(=O)C3CCC(=O)N3

InChI

InChI=1S/C20H25N5O4/c1-11(2)17(20(28)29-3)25-18-12-6-4-5-7-13(12)22-15(24-18)10-21-19(27)14-8-9-16(26)23-14/h4-7,11,14,17H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,22,24,25)/t14?,17-/m0/s1