Achn-975
N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzamide
Molecular Identity
Achn-975
N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzamide
PubChem CID: 71466517
2D Structure
Properties
C20H23N3O4
Molecular Formula
369.40
Molecular Weight
g/mol
369.1689
Exact Mass
Da
0.3
XLogP
Drug-like (Lipinski: < 5)
125
TPSA
Good oral absorption (< 140 A²)
5
H-Bond Donors
5
H-Bond Acceptors
698
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C(C(=O)NO)NC(=O)C1=CC=C(C=C1)C#CC#CC2CC2CO)NIsomeric SMILES
SMILES: CC(C)([C@@H](C(=O)NO)NC(=O)C1=CC=C(C=C1)C#CC#C[C@@H]2C[C@H]2CO)NSynonyms(20)
ACHN-9751410809-36-748CET2EN53N-((1S)-2-Amino-1-((hydroxyamino)carbonyl)-2-methylpropyl)-4-(4-((1R,2R)-2-(hydroxymethyl)cyclopropyl)-1,3-butadiyn-1-yl)benzamideBenzamide, N-((1S)-2-amino-1-((hydroxyamino)carbonyl)-2-methylpropyl)-4-(4-((1R,2R)-2-(hydroxymethyl)cyclopropyl)-1,3-butadiyn-1-yl)-RefChem:109223UNII-48CET2EN53(2S)-3-amino-N-hydroxy-2-[(4-{4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diyn-1-yl}phenyl)formamido]-3-methylbutanamideN-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzamideN-((S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl)-4-(((1R,2R)-2-(hydroxymethyl)cyclopropyl)buta-1,3-diyn-1-yl)benzamideACHN 975A5FN-[(2S)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide-1,3-diynyl]benzamideACHN975
Data from PubChem (NCBI)
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