methyl (2R,3R)-3-methyl-2-(2-quinazolin-4-ylsulfanylethanoylamino)pentanoate

Systemtic Name: methyl (2R,3R)-3-methyl-2-(2-quinazolin-4-ylsulfanylethanoylamino)pentanoate Openeye Name: methyl (2R,3R)-3-methyl-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]pentanoate CAS Name: (2R,3R)-3-methyl-2-[[1-oxo-2-(4-quinazolinylthio)ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R,3R)-3-methyl-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]pentanoate Traditional Name: (2R,3R)-3-methyl-2-[[2-(quinazolin-4-ylthio)acetyl]amino]valeric acid methyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC=NC2=CC=CC=C21

Isomeric SMILES

CC[C@@H](C)[C@H](C(=O)OC)NC(=O)CSC1=NC=NC2=CC=CC=C21

InChI

InChI=1S/C17H21N3O3S/c1-4-11(2)15(17(22)23-3)20-14(21)9-24-16-12-7-5-6-8-13(12)18-10-19-16/h5-8,10-11,15H,4,9H2,1-3H3,(H,20,21)/t11-,15-/m1/s1