Xevinapant
(5S,8S,10aR)-N-benzhydryl-5-[[(2S)-2-(methylamino)propanoyl]amino]-3-(3-methylbutanoyl)-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide
Molecular Identity
Xevinapant
(5S,8S,10aR)-N-benzhydryl-5-[[(2S)-2-(methylamino)propanoyl]amino]-3-(3-methylbutanoyl)-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide
PubChem CID: 25022340
2D Structure
Properties
C32H43N5O4
Molecular Formula
561.70
Molecular Weight
g/mol
561.3315
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
111
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
896
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Xevinapant1071992-99-8AT-406AT406Debio1143Debio 1143Debio-1143SM-406Iap inhibitor AT-406N65WC8PXDDMSC2735845A(5S,8S,10aR)-N-benzhydryl-5-[[(2S)-2-(methylamino)propanoyl]amino]-3-(3-methylbutanoyl)-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamideD-1143(5S,8S,10aR)-N-benzhydryl-5-(((2S)-2-(methylamino)propanoyl)amino)-3-(3-methylbutanoyl)-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo(1,2-a)(1,5)diazocine-8-carboxamidePYRROLO(1,2-A)(1,5)DIAZOCINE-8-CARBOXAMIDE, N-(DIPHENYLMETHYL)DECAHYDRO-5-(((2S)-2-(METHYLAMINO)-1-OXOPROPYL)AMINO)-3-(3-METHYL-1-OXOBUTYL)-6-OXO-, (5S,8S,10AR)-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Xevinapant
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