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MY2

Summary
Name:{1-[(3S)-4-(BENZYLOXY)-3-HYDROXY-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
Formula:C13 H16 N2 O6
Formal charge:0
Formula weight:296.276 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04{1-[(3S)-4-(benzyloxy)-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid
OpenEye OEToolkits1.5.02-[amino-[(3S)-3-hydroxy-4-oxo-4-phenylmethoxy-butanoyl]amino]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)CN(N)C(=O)CC(O)C(=O)OCc1ccccc1
SMILES_CANONICALCACTVS3.341NN(CC(O)=O)C(=O)C[C@H](O)C(=O)OCc1ccccc1
SMILESCACTVS3.341NN(CC(O)=O)C(=O)C[CH](O)C(=O)OCc1ccccc1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)COC(=O)[C@H](CC(=O)N(CC(=O)O)N)O
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)COC(=O)C(CC(=O)N(CC(=O)O)N)O
InChIInChI1.03InChI=1S/C13H16N2O6/c14-15(7-12(18)19)11(17)6-10(16)13(20)21-8-9-4-2-1-3-5-9/h1-5,10,16H,6-8,14H2,(H,18,19)/t10-/m0/s1
InChIKeyInChI1.03VKMHPJLHWKEYJZ-JTQLQIEISA-N

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PDB entries from 2024-04-24

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