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A1H77

Summary
Name:(2~{R},3~{S})-1-(cyclopropylmethylamino)-3-(9~{H}-fluoren-9-ylamino)-4-phenyl-butan-2-ol
Formula:C27 H30 N2 O
Formal charge:0
Formula weight:398.54 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{R},3~{S})-1-(cyclopropylmethylamino)-3-(9~{H}-fluoren-9-ylamino)-4-phenyl-butan-2-ol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C27H30N2O/c30-26(18-28-17-20-14-15-20)25(16-19-8-2-1-3-9-19)29-27-23-12-6-4-10-21(23)22-11-5-7-13-24(22)27/h1-13,20,25-30H,14-18H2
InChIKeyInChI1.06UUSOVXKDONMOKG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O[C@H](CNCC1CC1)[C@@H](Cc2ccccc2)N[C@@H]3c4ccccc4c5ccccc35
SMILESCACTVS3.385O[CH](CNCC1CC1)[CH](Cc2ccccc2)N[CH]3c4ccccc4c5ccccc35
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)C[C@@H]([C@@H](CNCC2CC2)O)NC3c4ccccc4-c5c3cccc5
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CC(C(CNCC2CC2)O)NC3c4ccccc4-c5c3cccc5

251174

PDB entries from 2026-03-25

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