methyl (2S)-3-methyl-2-[2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethanoylamino]pentanoate

Systemtic Name: methyl (2S)-3-methyl-2-[2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethanoylamino]pentanoate Openeye Name: methyl (2S)-3-methyl-2-[[2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetyl]amino]pentanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetyl]amino]pentanoate Traditional Name: (2S)-2-[[2-[(4-keto-1H-quinazolin-2-yl)methylthio]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSCC1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CCC(C)[C@@H](C(=O)OC)NC(=O)CSCC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C18H23N3O4S/c1-4-11(2)16(18(24)25-3)21-15(22)10-26-9-14-19-13-8-6-5-7-12(13)17(23)20-14/h5-8,11,16H,4,9-10H2,1-3H3,(H,21,22)(H,19,20,23)/t11?,16-/m0/s1