Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

MY3

Summary
Name:[N-(3-BENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO] - ACETIC ACID
Formula:C13 H17 N3 O5
Formal charge:0
Formula weight:295.291 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01{1-[(3S)-4-(benzylamino)-3-hydroxy-4-oxobutanoyl]hydrazinyl}acetic acid
OpenEye OEToolkits1.7.22-[azanyl-[(3S)-3-oxidanyl-4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CN(N)C(=O)CC(O)C(=O)NCc1ccccc1
SMILES_CANONICALCACTVS3.370NN(CC(O)=O)C(=O)C[C@H](O)C(=O)NCc1ccccc1
SMILESCACTVS3.370NN(CC(O)=O)C(=O)C[CH](O)C(=O)NCc1ccccc1
SMILES_CANONICALOpenEye OEToolkits1.7.2c1ccc(cc1)CNC(=O)[C@H](CC(=O)N(CC(=O)O)N)O
SMILESOpenEye OEToolkits1.7.2c1ccc(cc1)CNC(=O)C(CC(=O)N(CC(=O)O)N)O
InChIInChI1.03InChI=1S/C13H17N3O5/c14-16(8-12(19)20)11(18)6-10(17)13(21)15-7-9-4-2-1-3-5-9/h1-5,10,17H,6-8,14H2,(H,15,21)(H,19,20)/t10-/m0/s1
InChIKeyInChI1.03ROPIKOKIAWFVJE-JTQLQIEISA-N

223790

PDB entries from 2024-08-14

PDB statisticsPDBj update infoContact PDBjnumon