Tosedostat
cyclopentyl (2S)-2-[[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-2-phenylacetate
Molecular Identity
Tosedostat
cyclopentyl (2S)-2-[[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-2-phenylacetate
PubChem CID: 15547703
(2S)-2-[[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-2-phenylacetic acid cyclopentyl ester is a secondary carboxamide, a hydroxamic acid and a carboxylic ester.
2D Structure
Properties
C21H30N2O6
Molecular Formula
406.50
Molecular Weight
g/mol
406.2104
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
125
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
6
H-Bond Acceptors
555
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)CC(C(C(=O)NO)O)C(=O)NC(C1=CC=CC=C1)C(=O)OC2CCCC2Isomeric SMILES
SMILES: CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@@H](C1=CC=CC=C1)C(=O)OC2CCCC2Synonyms(20)
Tosedostat238750-77-1CHR 2797CHR-2797CHR2797KZK563J2UWDTXSID60178577Benzeneacetic acid, alpha-(((2R)-2-((1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl)-4-methyl-1-oxopentyl)amino)-, cyclopentyl ester, (alphaS)-tosedostatumRefChem:898628DTXCID20101068Aminopeptidase inhibitor CHR-27972-(2-(Hydroxy(hydroxycarbamoyl)methyl)-4-methylpentanoylamino)-2-phenylethanoic acid cyclopentyl esterCYCLOPENTYL (2S)-2-((2R)-2-((1S)-1-HYDROXY-2-(HYDROXYAMINO)-2-OXOETHYL)-4-METHYLPENTANAMIDO)-2-PHENYLACETATEcyclopentyl (2S)-2-((2R,3S)-3-hydroxy-3-(hydroxycarbamoyl)-2-(2-methylpropyl)propanamido)-2-phenylacetate
Data from PubChem (NCBI)
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