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24O

Summary
Name:(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]-4-oxocyclopentanecarboxylic acid
Formula:C12 H21 N O4
Formal charge:0
Formula weight:243.299 Da
Component type:peptide-like

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]-4-oxocyclopentanecarboxylic acid
OpenEye OEToolkits1.7.0(1R,2R)-2-[(1S,2S)-2-azanyl-1-hydroxy-4-methyl-pentyl]-4-oxo-cyclopentane-1-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C1CC(=O)CC1C(O)C(N)CC(C)C
SMILES_CANONICALCACTVS3.370CC(C)C[C@H](N)[C@@H](O)[C@@H]1CC(=O)C[C@H]1C(O)=O
SMILESCACTVS3.370CC(C)C[CH](N)[CH](O)[CH]1CC(=O)C[CH]1C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0CC(C)C[C@@H]([C@H]([C@@H]1CC(=O)C[C@H]1C(=O)O)O)N
SMILESOpenEye OEToolkits1.7.0CC(C)CC(C(C1CC(=O)CC1C(=O)O)O)N
InChIInChI1.03InChI=1S/C12H21NO4/c1-6(2)3-10(13)11(15)8-4-7(14)5-9(8)12(16)17/h6,8-11,15H,3-5,13H2,1-2H3,(H,16,17)/t8-,9-,10+,11+/m1/s1
InChIKeyInChI1.03BYQBKCJRZDGCMJ-ZNSHCXBVSA-N

223532

PDB entries from 2024-08-07

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