tert-butyl (2S,3R)-2-[(7-bromanyl-2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methoxy]-3-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]-5-methyl-hexanoate

Systemtic Name: tert-butyl (2S,3R)-2-[(7-bromanyl-2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methoxy]-3-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]-5-methyl-hexanoate Openeye Name: tert-butyl (2S,3R)-2-[(7-bromo-2-methyl-4-oxo-1H-quinazolin-6-yl)methoxy]-3-[[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]-5-methyl-hexanoate CAS Name: (2S,3R)-2-[(7-bromo-2-methyl-4-oxo-1H-quinazolin-6-yl)methoxy]-3-[[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-oxomethyl]-5-methylhexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-2-[(7-bromo-2-methyl-4-oxo-1H-quinazolin-6-yl)methoxy]-3-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-5-methylhexanoate Traditional Name: (2S,3R)-2-[(7-bromo-4-keto-2-methyl-1H-quinazolin-6-yl)methoxy]-3-[[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]-5-methyl-hexanoic acid tert-butyl ester Formula: C29H43BrN4O6 MolecularWeight: 623.57892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=CC(=C(C=C2N1)Br)COC(C(CC(C)C)C(=O)NC(C(=O)NC)C(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC(=O)C2=CC(=C(C=C2N1)Br)CO[C@@H]([C@@H](CC(C)C)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H43BrN4O6/c1-15(2)11-19(25(36)34-23(26(37)31-10)28(4,5)6)22(27(38)40-29(7,8)9)39-14-17-12-18-21(13-20(17)30)32-16(3)33-24(18)35/h12-13,15,19,22-23H,11,14H2,1-10H3,(H,31,37)(H,34,36)(H,32,33,35)/t19-,22+,23-/m1/s1