Molecular Identity
Ubenimex
(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid
PubChem CID: 72172
2D Structure
Properties
C16H24N2O4
Molecular Formula
308.37
Molecular Weight
g/mol
308.1736
Exact Mass
Da
-1
XLogP
Drug-like (Lipinski: < 5)
113
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
5
H-Bond Acceptors
367
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)CC(C(=O)O)NC(=O)C(C(CC1=CC=CC=C1)N)OIsomeric SMILES
SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)N)OSynonyms(20)
BestatinUbenimex58970-76-6NK-421UbenimexumNK 421I0J33N5627NSC-265489((2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl)-L-leucine(3-Amino-2-hydroxy-4-phenylbutanoyl)-L-leucine(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid(S-(R*,S*))-N-(3-Amino-2-hydroxy-4-phenylbutyroyl)-L-leucineL-Leucine, N-(3-amino-2-hydroxy-1-oxo-4-phenylbutyl)-, (S-(R*,S*))-NSC265489DTXSID4048430
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Ubenimex
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