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9AL

Summary
Name:(2S,3S)-3-amino-2-hydroxy-N-[(1R)-1-phenylpropyl]butanamide
Formula:C13 H20 N2 O2
Formal charge:0
Formula weight:236.31 Da
Component type:peptide-like

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S,3S)-3-amino-2-hydroxy-N-[(1R)-1-phenylpropyl]butanamide
OpenEye OEToolkits1.7.6(2S,3S)-3-azanyl-2-oxidanyl-N-[(1R)-1-phenylpropyl]butanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC(c1ccccc1)CC)C(O)C(N)C
InChIInChI1.03InChI=1S/C13H20N2O2/c1-3-11(10-7-5-4-6-8-10)15-13(17)12(16)9(2)14/h4-9,11-12,16H,3,14H2,1-2H3,(H,15,17)/t9-,11+,12-/m0/s1
InChIKeyInChI1.03XIUYRYRUMOABLH-WCQGTBRESA-N
SMILES_CANONICALCACTVS3.370CC[C@@H](NC(=O)[C@@H](O)[C@H](C)N)c1ccccc1
SMILESCACTVS3.370CC[CH](NC(=O)[CH](O)[CH](C)N)c1ccccc1
SMILES_CANONICALOpenEye OEToolkits1.7.6CC[C@H](c1ccccc1)NC(=O)[C@H]([C@H](C)N)O
SMILESOpenEye OEToolkits1.7.6CCC(c1ccccc1)NC(=O)C(C(C)N)O

222415

PDB entries from 2024-07-10

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