(2R)-2-(2-bromanylprop-2-enyl)-N-[(1S)-2-cyclohexyl-1-[(4R,5S)-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolan-4-yl]ethyl]-N'-(cyclohexylmethyl)-N'-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxidanylidene-ethyl]butanediamide

Systemtic Name: (2R)-2-(2-bromanylprop-2-enyl)-N-[(1S)-2-cyclohexyl-1-[(4R,5S)-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolan-4-yl]ethyl]-N'-(cyclohexylmethyl)-N'-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxidanylidene-ethyl]butanediamide Openeye Name: (2R)-2-(2-bromoallyl)-N-[(1S)-2-cyclohexyl-1-[(4R,5S)-5-isobutyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-N'-(cyclohexylmethyl)-N'-[2-[methyl-[2-(2-pyridyl)ethyl]amino]-2-oxo-ethyl]butanediamide CAS Name: (2R)-2-(2-bromoprop-2-enyl)-N-[(1S)-2-cyclohexyl-1-[(4R,5S)-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolan-4-yl]ethyl]-N'-(cyclohexylmethyl)-N'-[2-[methyl-[2-(2-pyridinyl)ethyl]amino]-2-oxoethyl]butanediamide IUPAC Name: (2R)-2-(2-bromoprop-2-enyl)-N-[(1S)-2-cyclohexyl-1-[(4R,5S)-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolan-4-yl]ethyl]-N'-(cyclohexylmethyl)-N'-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]butanediamide Traditional Name: (2R)-2-(2-bromoallyl)-N-[(1S)-2-cyclohexyl-1-[(4R,5S)-5-isobutyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-N'-(cyclohexylmethyl)-N'-[2-keto-2-[methyl-[2-(2-pyridyl)ethyl]amino]ethyl]succinamide Formula: C41H65BrN4O5 MolecularWeight: 773.8826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(OC(O1)(C)C)C(CC2CCCCC2)NC(=O)C(CC(=C)Br)CC(=O)N(CC3CCCCC3)CC(=O)N(C)CCC4=CC=CC=N4

Isomeric SMILES

CC(C)C[C@H]1[C@H](OC(O1)(C)C)[C@H](CC2CCCCC2)NC(=O)[C@@H](CC(=C)Br)CC(=O)N(CC3CCCCC3)CC(=O)N(C)CCC4=CC=CC=N4

InChI

InChI=1S/C41H65BrN4O5/c1-29(2)23-36-39(51-41(4,5)50-36)35(25-31-15-9-7-10-16-31)44-40(49)33(24-30(3)42)26-37(47)46(27-32-17-11-8-12-18-32)28-38(48)45(6)22-20-34-19-13-14-21-43-34/h13-14,19,21,29,31-33,35-36,39H,3,7-12,15-18,20,22-28H2,1-2,4-6H3,(H,44,49)/t33-,35-,36-,39+/m0/s1