APG-1387
(5S,8S,10aR)-3-[3-[[(5S,8S,10aR)-8-(benzhydrylcarbamoyl)-5-[[(2S)-2-(methylamino)propanoyl]amino]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-3-yl]sulfonyl]phenyl]sulfonyl-N-benzhydryl-5-[[(2S)-2-(methylamino)propanoyl]amino]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide
Molecular Identity
APG-1387
(5S,8S,10aR)-3-[3-[[(5S,8S,10aR)-8-(benzhydrylcarbamoyl)-5-[[(2S)-2-(methylamino)propanoyl]amino]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-3-yl]sulfonyl]phenyl]sulfonyl-N-benzhydryl-5-[[(2S)-2-(methylamino)propanoyl]amino]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide
PubChem CID: 73336238
2D Structure
Properties
C60H72N10O10S2
Molecular Formula
1157.40
Molecular Weight
g/mol
1156.4874
Exact Mass
Da
4.5
XLogP
Drug-like (Lipinski: < 5)
273
TPSA
May have limited oral absorption
6
H-Bond Donors
14
H-Bond Acceptors
2240
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
APG-13871570231-89-8DasminapantE53VN70K2XAPG1387APG-1387 (SMAC MIMETIC)SM-1387Pyrrolo(1,2-a)(1,5)diazocine-8-carboxamide, 3,3'-(1,3-phenylenebis(sulfonyl))bis(N-(diphenylmethyl)decahydro-5-(((2S)-2-(methylamino)-1-oxopropyl)amino)-6-oxo-, (5S,5'S,8S,8'S,10aR,10'ar)-Apg 1387RefChem:113310SMAC-mimetic APG-1387IAP Inhibitor APG-1387IAP Antagonist APG-1387UNII-E53VN70K2X(S,5S,5'S,8S,8'S,10aR,10a'R)-3,3'-(1,3-Phenylenedisulfonyl)bis(N-benzhydryl-5-((S)-2-(methylamino)propanamido)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide)
Data from PubChem (NCBI)
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