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AHS

Summary
Name:(3-AMINO-4-CYCLOHEXYL-2-HYDROXY-BUTYL)-ISOBUTYL-CARBAMIC ACID
Formula:C15 H30 N2 O3
Formal charge:0
Formula weight:286.41 Da
Component type:peptide-like

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[(2S,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamic acid
OpenEye OEToolkits1.7.0[(2S,3S)-3-azanyl-4-cyclohexyl-2-hydroxy-butyl]-(2-methylpropyl)carbamic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)N(CC(C)C)CC(O)C(N)CC1CCCCC1
SMILES_CANONICALCACTVS3.370CC(C)CN(C[C@H](O)[C@@H](N)CC1CCCCC1)C(O)=O
SMILESCACTVS3.370CC(C)CN(C[CH](O)[CH](N)CC1CCCCC1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0CC(C)CN(C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O
SMILESOpenEye OEToolkits1.7.0CC(C)CN(CC(C(CC1CCCCC1)N)O)C(=O)O
InChIInChI1.03InChI=1S/C15H30N2O3/c1-11(2)9-17(15(19)20)10-14(18)13(16)8-12-6-4-3-5-7-12/h11-14,18H,3-10,16H2,1-2H3,(H,19,20)/t13-,14-/m0/s1
InChIKeyInChI1.03AXBVZKHUXGSFMA-KBPBESRZSA-N

218853

PDB entries from 2024-04-24

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