(2S)-3-methyl-2-[[(2R)-2-(4-oxidanylidenequinazolin-3-yl)hexanoyl]amino]butanoate

Systemtic Name: (2S)-3-methyl-2-[[(2R)-2-(4-oxidanylidenequinazolin-3-yl)hexanoyl]amino]butanoate Openeye Name: (2S)-3-methyl-2-[[(2R)-2-(4-oxoquinazolin-3-yl)hexanoyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2R)-1-oxo-2-(4-oxo-3-quinazolinyl)hexyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[(2R)-2-(4-oxoquinazolin-3-yl)hexanoyl]amino]butanoate Traditional Name: (2S)-2-[[(2R)-2-(4-ketoquinazolin-3-yl)hexanoyl]amino]-3-methyl-butyrate Formula: C19H24N3O4- MolecularWeight: 358.41156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(C(C)C)C(=O)[O-])N1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CCCC[C@H](C(=O)N[C@@H](C(C)C)C(=O)[O-])N1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C19H25N3O4/c1-4-5-10-15(17(23)21-16(12(2)3)19(25)26)22-11-20-14-9-7-6-8-13(14)18(22)24/h6-9,11-12,15-16H,4-5,10H2,1-3H3,(H,21,23)(H,25,26)/p-1/t15-,16+/m1/s1