2-[(2-ethyl-2-pyrrolidin-1-ylcarbonyl-butanoyl)amino]-3-[4-(4-oxidanylidenequinazolin-3-yl)phenyl]propanoic acid

Systemtic Name: 2-[(2-ethyl-2-pyrrolidin-1-ylcarbonyl-butanoyl)amino]-3-[4-(4-oxidanylidenequinazolin-3-yl)phenyl]propanoic acid Openeye Name: 2-[[2-ethyl-2-(pyrrolidine-1-carbonyl)butanoyl]amino]-3-[4-(4-oxoquinazolin-3-yl)phenyl]propanoic acid CAS Name: 2-[[2-ethyl-1-oxo-2-[oxo(1-pyrrolidinyl)methyl]butyl]amino]-3-[4-(4-oxo-3-quinazolinyl)phenyl]propanoic acid IUPAC Name: 2-[[2-ethyl-2-(pyrrolidine-1-carbonyl)butanoyl]amino]-3-[4-(4-oxoquinazolin-3-yl)phenyl]propanoic acid Traditional Name: 2-[[2-ethyl-2-(pyrrolidine-1-carbonyl)butanoyl]amino]-3-[4-(4-ketoquinazolin-3-yl)phenyl]propionic acid Formula: C28H32N4O5 MolecularWeight: 504.57748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)NC(CC1=CC=C(C=C1)N2C=NC3=CC=CC=C3C2=O)C(=O)O)C(=O)N4CCCC4

Isomeric SMILES

CCC(CC)(C(=O)NC(CC1=CC=C(C=C1)N2C=NC3=CC=CC=C3C2=O)C(=O)O)C(=O)N4CCCC4

InChI

InChI=1S/C28H32N4O5/c1-3-28(4-2,27(37)31-15-7-8-16-31)26(36)30-23(25(34)35)17-19-11-13-20(14-12-19)32-18-29-22-10-6-5-9-21(22)24(32)33/h5-6,9-14,18,23H,3-4,7-8,15-17H2,1-2H3,(H,30,36)(H,34,35)