216863-66-0
(2S)-4-(1-benzofuran-2-ylmethyl)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butylpiperazine-2-carboxamide
Molecular Identity
216863-66-0
(2S)-4-(1-benzofuran-2-ylmethyl)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butylpiperazine-2-carboxamide
PubChem CID: 5481481
2D Structure
Properties
C39H48N4O5
Molecular Formula
652.80
Molecular Weight
g/mol
652.3625
Exact Mass
Da
4.3
XLogP
Drug-like (Lipinski: < 5)
118
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
7
H-Bond Acceptors
1060
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
216863-66-0L 756423L-756423862SGU1BRLL-756,423L 756,423D-erythro-Pentonamide, 5-((2S)-4-(2-benzofuranylmethyl)-2-(((1,1-dimethylethyl)amino)carbonyl)-1-piperazinyl)-2,3,5-trideoxy-N-((1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl)-2-(phenylmethyl)-RefChem:151724(2S)-4-((1-benzofuran-2-yl)methyl)-1-((2S,4R)-4-benzyl-2-hydroxy-4-(((2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl)butyl)-N-tert-butylpiperazine-2-carboxamideMK-944a(S)-4-(Benzofuran-2-ylmethyl)-1-((2S,4R)-4-benzyl-2-hydroxy-5-(((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino)-5-oxopentyl)-N-(tert-butyl)piperazine-2-carboxamiden-[2(r)-hydroxy-1(s)-indanyl]-2(r)-phenylmethyl-4(s)-hydroxy-5-[4-[2-benzofuranylmethyl]-2(s)-[tert-butylaminocarbonyl]-piperazinyl]-pentaneamideCHEMBL1233940(2S)-4-(1-benzofuran-2-ylmethyl)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butylpiperazine-2-carboxamideUNII-862SGU1BRL
Data from PubChem (NCBI)
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