(2S)-3-methyl-2-[[(2S,3S)-3-methyl-2-(4-oxidanylidenequinazolin-3-yl)pentanoyl]amino]butanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4/c1-5-12(4)16(17(23)21-15(11(2)3)19(25)26)22-10-20-14-9-7-6-8-13(14)18(22)24/h6-12,15-16H,5H2,1-4H3,(H,21,23)(H,25,26)/p-1/t12-,15-,16-/m0/s1