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FCH

Summary
Name:(2R,3S)-3-amino-1-[(cyclohexylmethyl)amino]-4-phenylbutan-2-ol
Formula:C17 H28 N2 O
Formal charge:0
Formula weight:276.417 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R,3S)-3-amino-1-[(cyclohexylmethyl)amino]-4-phenylbutan-2-ol
OpenEye OEToolkits1.7.2(2R,3S)-3-azanyl-1-(cyclohexylmethylamino)-4-phenyl-butan-2-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC(CNCC1CCCCC1)C(N)Cc2ccccc2
InChIInChI1.03InChI=1S/C17H28N2O/c18-16(11-14-7-3-1-4-8-14)17(20)13-19-12-15-9-5-2-6-10-15/h1,3-4,7-8,15-17,19-20H,2,5-6,9-13,18H2/t16-,17+/m0/s1
InChIKeyInChI1.03ZXSVBSSNAIRCGF-DLBZAZTESA-N
SMILES_CANONICALCACTVS3.370N[C@@H](Cc1ccccc1)[C@H](O)CNCC2CCCCC2
SMILESCACTVS3.370N[CH](Cc1ccccc1)[CH](O)CNCC2CCCCC2
SMILES_CANONICALOpenEye OEToolkits1.7.2c1ccc(cc1)C[C@@H]([C@@H](CNCC2CCCCC2)O)N
SMILESOpenEye OEToolkits1.7.2c1ccc(cc1)CC(C(CNCC2CCCCC2)O)N

227111

數據於2024-11-06公開中

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