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CHEBI:44334 - (6R,8S,11S)-11-CYCLOHEXYL-N-(1-{[(2-{[(1S)-2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO}-2-OXOETHYL)AMINO](OXO)ACETYL}BUTYL)-10,13-DIOXO-2,5-DIOXA-9,12-DIAZATRICYCLO[14.3.1.1~6,9~]HENICOSA-1(20),16,18-TRIENE-8-CARBOXAMIDE

Default Structure
ChEBI IDCHEBI:44334
ChEBI Name(6R,8S,11S)-11-CYCLOHEXYL-N-(1-{[(2-{[(1S)-2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO}-2-OXOETHYL)AMINO](OXO)ACETYL}BUTYL)-10,13-DIOXO-2,5-DIOXA-9,12-DIAZATRICYCLO[14.3.1.1~6,9~]HENICOSA-1(20),16,18-TRIENE-8-CARBOXAMIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC42H56N6O9
Net Charge0
Average Mass788.943
Monoisotopic Mass788.41088
SMILES[H]c1c([H])c([H])c([C@@]([H])(C(=O)N(C([H])([H])[H])C([H])([H])[H])N([H])C(=O)C([H])([H])N([H])C(=O)C(=O)[C@@]([H])(N([H])C(=O)[C@@]2([H])N3C(=O)[C@]([H])(C4([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C4([H])[H])N([H])C(=O)C([H])([H])C([H])([H])c4c([H])c([H])c([H])c(c4[H])OC([H])([H])C([H])([H])O[C@@]([H])(C3([H])[H])C2([H])[H])C([H])([H])C([H])([H])C([H])([H])[H])c([H])c1[H]
InChIInChI=1S/C42H56N6O9/c1-4-12-32(38(51)40(53)43-25-35(50)46-36(41(54)47(2)3)28-14-7-5-8-15-28)44-39(52)33-24-31-26-48(33)42(55)37(29-16-9-6-10-17-29)45-34(49)20-19-27-13-11-18-30(23-27)56-21-22-57-31/h5,7-8,11,13-15,18,23,29,31-33,36-37H,4,6,9-10,12,16-17,19-22,24-26H2,1-3H3,(H,43,53)(H,44,52)(H,45,49)(H,46,50)/t31-,32+,33+,36+,37+/m1/s1
InChIKeyRJPSYFVTRHPRGV-HVHRWFTHSA-N
ChEBI Ontology
Outgoing Relation(s)
(6R,8S,11S)-11-CYCLOHEXYL-N-(1-{[(2-{[(1S)-2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO}-2-OXOETHYL)AMINO](OXO)ACETYL}BUTYL)-10,13-DIOXO-2,5-DIOXA-9,12-DIAZATRICYCLO[14.3.1.1~6,9~]HENICOSA-1(20),16,18-TRIENE-8-CARBOXAMIDE (CHEBI:44334) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(6R,8S,11S)-11-CYCLOHEXYL-N-(1-{[(2-{[(1S)-2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO}-2-OXOETHYL)AMINO](OXO)ACETYL}BUTYL)-10,13-DIOXO-2,5-DIOXA-9,12-DIAZATRICYCLO[14.3.1.1~6,9~]HENICOSA-1(20),16,18-TRIENE-8-CARBOXAMIDEPDBeChem
(6R,8S,11S)-11-cyclohexyl-N-[(1S)-1-{[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino](oxo)acetyl}butyl]-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[14.3.1.1~6,9~]henicosa-1(20),16,18-triene-8-carboxamidePDBeChem
Manual XrefsDatabases
NHNPDBeChem