(2S)-3-methyl-2-[[(2S)-4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]butanoate

Systemtic Name: (2S)-3-methyl-2-[[(2S)-4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]butanoate Openeye Name: (2S)-3-methyl-2-[[(2S)-4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2S)-4-(methylthio)-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[(2S)-4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]butanoate Traditional Name: (2S)-2-[[(2S)-2-(4-ketoquinazolin-3-yl)-4-(methylthio)butanoyl]amino]-3-methyl-butyrate Formula: C18H22N3O4S- MolecularWeight: 376.44998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S/c1-11(2)15(18(24)25)20-16(22)14(8-9-26-3)21-10-19-13-7-5-4-6-12(13)17(21)23/h4-7,10-11,14-15H,8-9H2,1-3H3,(H,20,22)(H,24,25)/p-1/t14-,15-/m0/s1