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MY1

Summary
Name:[N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO]-ACETIC ACID
Formula:C20 H23 N3 O5
Formal charge:0
Formula weight:385.414 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)CN(N)C(=O)CC(O)C(=O)N(Cc1ccccc1)Cc2ccccc2
SMILES_CANONICALCACTVS3.341NN(CC(O)=O)C(=O)C[C@H](O)C(=O)N(Cc1ccccc1)Cc2ccccc2
SMILESCACTVS3.341NN(CC(O)=O)C(=O)C[CH](O)C(=O)N(Cc1ccccc1)Cc2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)CN(Cc2ccccc2)C(=O)[C@H](CC(=O)N(CC(=O)O)N)O
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CN(Cc2ccccc2)C(=O)C(CC(=O)N(CC(=O)O)N)O
InChIInChI1.03InChI=1S/C20H23N3O5/c21-23(14-19(26)27)18(25)11-17(24)20(28)22(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16/h1-10,17,24H,11-14,21H2,(H,26,27)/t17-/m0/s1
InChIKeyInChI1.03JGMMFVVACJREFE-KRWDZBQOSA-N

226262

PDB entries from 2024-10-16

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