(2S,3R)-3-methyl-2-[[(2S)-4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]pentanoate

Systemtic Name: (2S,3R)-3-methyl-2-[[(2S)-4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]pentanoate Openeye Name: (2S,3R)-3-methyl-2-[[(2S)-4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]pentanoate CAS Name: (2S,3R)-3-methyl-2-[[(2S)-4-(methylthio)-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]pentanoate IUPAC Name: (2S,3R)-3-methyl-2-[[(2S)-4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]pentanoate Traditional Name: (2S,3R)-2-[[(2S)-2-(4-ketoquinazolin-3-yl)-4-(methylthio)butanoyl]amino]-3-methyl-valerate Formula: C19H24N3O4S- MolecularWeight: 390.47656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S/c1-4-12(2)16(19(25)26)21-17(23)15(9-10-27-3)22-11-20-14-8-6-5-7-13(14)18(22)24/h5-8,11-12,15-16H,4,9-10H2,1-3H3,(H,21,23)(H,25,26)/p-1/t12-,15+,16+/m1/s1