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015

Summary
Name:(2S,3S,5S)-2,5-diamino-1,6-diphenylhexan-3-ol
Formula:C18 H24 N2 O
Formal charge:0
Formula weight:284.396 Da
Component type:peptide-like

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S,3S,5S)-2,5-diamino-1,6-diphenylhexan-3-ol
OpenEye OEToolkits1.7.0(2S,3S,5S)-2,5-bis(azanyl)-1,6-diphenyl-hexan-3-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC(C(N)Cc1ccccc1)CC(N)Cc2ccccc2
SMILES_CANONICALCACTVS3.370N[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)Cc2ccccc2
SMILESCACTVS3.370N[CH](C[CH](O)[CH](N)Cc1ccccc1)Cc2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)C[C@@H](C[C@@H]([C@H](Cc2ccccc2)N)O)N
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)CC(CC(C(Cc2ccccc2)N)O)N
InChIInChI1.03InChI=1S/C18H24N2O/c19-16(11-14-7-3-1-4-8-14)13-18(21)17(20)12-15-9-5-2-6-10-15/h1-10,16-18,21H,11-13,19-20H2/t16-,17-,18-/m0/s1
InChIKeyInChI1.03BIZHLXOOWGXFLC-BZSNNMDCSA-N

218853

PDB entries from 2024-04-24

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