tert-butyl (3R)-3-[3-bromanylpropyl-[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoyl]-5-methyl-hexanoate

Systemtic Name: tert-butyl (3R)-3-[3-bromanylpropyl-[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoyl]-5-methyl-hexanoate Openeye Name: tert-butyl (3R)-3-[3-bromopropyl-[(1S)-1-[(4-hydroxyphenyl)methyl]-2-methoxy-2-oxo-ethyl]carbamoyl]-5-methyl-hexanoate CAS Name: (3R)-3-[[3-bromopropyl-[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-oxomethyl]-5-methylhexanoic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-[3-bromopropyl-[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-5-methylhexanoate Traditional Name: (3R)-3-[3-bromopropyl-[(1S)-1-(4-hydroxybenzyl)-2-keto-2-methoxy-ethyl]carbamoyl]-5-methyl-hexanoic acid tert-butyl ester Formula: C25H38BrNO6 MolecularWeight: 528.47632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)OC(C)(C)C)C(=O)N(CCCBr)C(CC1=CC=C(C=C1)O)C(=O)OC

Isomeric SMILES

CC(C)C[C@H](CC(=O)OC(C)(C)C)C(=O)N(CCCBr)[C@@H](CC1=CC=C(C=C1)O)C(=O)OC

InChI

InChI=1S/C25H38BrNO6/c1-17(2)14-19(16-22(29)33-25(3,4)5)23(30)27(13-7-12-26)21(24(31)32-6)15-18-8-10-20(28)11-9-18/h8-11,17,19,21,28H,7,12-16H2,1-6H3/t19-,21+/m1/s1