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MV1

Summary
Name:(2S)-2,4-dihydroxy-3,3-dimethyl-N-[3-(nonylamino)-3-oxopropyl]butanamide
Formula:C18 H36 N2 O4
Formal charge:0
Formula weight:344.489 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-2,4-dihydroxy-3,3-dimethyl-N-[3-(nonylamino)-3-oxopropyl]butanamide
OpenEye OEToolkits1.7.0(2S)-2,4-dihydroxy-3,3-dimethyl-N-[3-(nonylamino)-3-oxo-propyl]butanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NCCC(=O)NCCCCCCCCC)C(O)C(C)(C)CO
SMILES_CANONICALCACTVS3.370CCCCCCCCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)CO
SMILESCACTVS3.370CCCCCCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO
SMILES_CANONICALOpenEye OEToolkits1.7.0CCCCCCCCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO)O
SMILESOpenEye OEToolkits1.7.0CCCCCCCCCNC(=O)CCNC(=O)C(C(C)(C)CO)O
InChIInChI1.03InChI=1S/C18H36N2O4/c1-4-5-6-7-8-9-10-12-19-15(22)11-13-20-17(24)16(23)18(2,3)14-21/h16,21,23H,4-14H2,1-3H3,(H,19,22)(H,20,24)/t16-/m1/s1
InChIKeyInChI1.03OAZREYBYPROKTB-MRXNPFEDSA-N

227111

PDB entries from 2024-11-06

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