tert-butyl 3-[[1-[(5-bromanylpyridin-3-yl)methyl]-2-oxidanylidene-azepan-3-yl]carbamoyl]-5-methyl-2-propyl-hexanoate

Systemtic Name: tert-butyl 3-[[1-[(5-bromanylpyridin-3-yl)methyl]-2-oxidanylidene-azepan-3-yl]carbamoyl]-5-methyl-2-propyl-hexanoate Openeye Name: tert-butyl 3-[[1-[(5-bromo-3-pyridyl)methyl]-2-oxo-azepan-3-yl]carbamoyl]-5-methyl-2-propyl-hexanoate CAS Name: 3-[[[1-[(5-bromo-3-pyridinyl)methyl]-2-oxo-3-azepanyl]amino]-oxomethyl]-5-methyl-2-propylhexanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[1-[(5-bromopyridin-3-yl)methyl]-2-oxoazepan-3-yl]carbamoyl]-5-methyl-2-propylhexanoate Traditional Name: 3-[[1-[(5-bromo-3-pyridyl)methyl]-2-keto-azepan-3-yl]carbamoyl]-5-methyl-2-propyl-hexanoic acid tert-butyl ester Formula: C27H42BrN3O4 MolecularWeight: 552.54408

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)CC2=CC(=CN=C2)Br)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)CC2=CC(=CN=C2)Br)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H42BrN3O4/c1-7-10-21(26(34)35-27(4,5)6)22(13-18(2)3)24(32)30-23-11-8-9-12-31(25(23)33)17-19-14-20(28)16-29-15-19/h14-16,18,21-23H,7-13,17H2,1-6H3,(H,30,32)