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HA2

Summary
Name:6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-6-OXOHEXANOIC ACID)
Formula:C22 H28 N2 O5
Formal charge:0
Formula weight:400.468 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.046-[{(2S)-2-amino-3-[4-(benzyloxy)phenyl]propyl}(hydroxy)amino]-6-oxohexanoic acid
OpenEye OEToolkits1.5.06-[[(2S)-2-amino-3-(4-phenylmethoxyphenyl)propyl]-hydroxy-amino]-6-oxo-hexanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)CCCCC(=O)N(O)CC(N)Cc2ccc(OCc1ccccc1)cc2
SMILES_CANONICALCACTVS3.341N[C@H](CN(O)C(=O)CCCCC(O)=O)Cc1ccc(OCc2ccccc2)cc1
SMILESCACTVS3.341N[CH](CN(O)C(=O)CCCCC(O)=O)Cc1ccc(OCc2ccccc2)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)COc2ccc(cc2)C[C@@H](CN(C(=O)CCCCC(=O)O)O)N
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)COc2ccc(cc2)CC(CN(C(=O)CCCCC(=O)O)O)N
InChIInChI1.03InChI=1S/C22H28N2O5/c23-19(15-24(28)21(25)8-4-5-9-22(26)27)14-17-10-12-20(13-11-17)29-16-18-6-2-1-3-7-18/h1-3,6-7,10-13,19,28H,4-5,8-9,14-16,23H2,(H,26,27)/t19-/m0/s1
InChIKeyInChI1.03YOYHDDAKAGRLRC-IBGZPJMESA-N

217705

PDB entries from 2024-03-27

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