(2S)-4-methylsulfanyl-2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]butanoic acid Openeye Name: (2S)-4-methylsulfanyl-2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]butanoic acid CAS Name: (2S)-4-(methylthio)-2-[[2-(1-pyrrolidinylmethyl)-4-quinazolinyl]amino]butanoic acid IUPAC Name: (2S)-4-methylsulfanyl-2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]butanoic acid Traditional Name: (2S)-4-(methylthio)-2-[[2-(pyrrolidinomethyl)quinazolin-4-yl]amino]butyric acid Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC1=NC(=NC2=CC=CC=C21)CN3CCCC3

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC1=NC(=NC2=CC=CC=C21)CN3CCCC3

InChI

InChI=1S/C18H24N4O2S/c1-25-11-8-15(18(23)24)20-17-13-6-2-3-7-14(13)19-16(21-17)12-22-9-4-5-10-22/h2-3,6-7,15H,4-5,8-12H2,1H3,(H,23,24)(H,19,20,21)/t15-/m0/s1