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

Systemtic Name: (2S)-2-[[(2S,3S)-3-methyl-2-(4-oxidanylidenequinazolin-3-yl)pentanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[(2S,3S)-3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2S,3S)-3-methyl-1-oxo-2-(4-oxo-3-quinazolinyl)pentyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[(2S,3S)-3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2S,3S)-2-(4-ketoquinazolin-3-yl)-3-methyl-pentanoyl]amino]-4-(methylthio)butyrate Formula: C19H24N3O4S- MolecularWeight: 390.47656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S/c1-4-12(2)16(17(23)21-15(19(25)26)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-/m0/s1