HHE

(2R,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-N-[(1R,2S,3S,5S,7S)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]hexanamide


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Chemical Component Summary

Name(2R,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-N-[(1R,2S,3S,5S,7S)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]hexanamide
Identifiers(2R,4S,5S)-5-azanyl-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxidanylidene-piperazin-1-yl]-2-ethyl-4-oxidanyl-N-[(1S,3R)-5-oxidanyl-2-adamantyl]hexanamide
FormulaC30 H45 Cl N4 O4
Molecular Weight561.156
TypeNON-POLYMER
Isomeric SMILESCC[C@H](C[C@@H]([C@H](CN1CC(=O)N(CC1(C)C)c2ccccc2Cl)N)O)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O
InChIInChI=1S/C30H45ClN4O4/c1-4-19(28(38)33-27-20-9-18-10-21(27)14-30(39,12-18)13-20)11-25(36)23(32)15-34-16-26(37)35(17-29(34,2)3)24-8-6-5-7-22(24)31/h5-8,18-21,23,25,27,36,39H,4,9-17,32H2,1-3H3,(H,33,38)/t18-,19-,20-,21+,23+,25+,27-,30-/m1/s1
InChIKeyMGQQKSSUXHKDSK-PTMRNKDMSA-N

Chemical Details

Formal Charge0
Atom Count84
Chiral Atom Count5
Bond Count88
Aromatic Bond Count6