methyl (2R,3S)-2-[2-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl (2R,3S)-2-[2-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl (2R,3S)-2-[[2-(6-bromo-4-oxo-quinazolin-3-yl)acetyl]amino]-3-methyl-pentanoate CAS Name: (2R,3S)-2-[[2-(6-bromo-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]-3-methylpentanoate Traditional Name: (2R,3S)-2-[[2-(6-bromo-4-keto-quinazolin-3-yl)acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C17H20BrN3O4 MolecularWeight: 410.2624

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CN1C=NC2=C(C1=O)C=C(C=C2)Br

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)CN1C=NC2=C(C1=O)C=C(C=C2)Br

InChI

InChI=1S/C17H20BrN3O4/c1-4-10(2)15(17(24)25-3)20-14(22)8-21-9-19-13-6-5-11(18)7-12(13)16(21)23/h5-7,9-10,15H,4,8H2,1-3H3,(H,20,22)/t10-,15+/m0/s1