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RNH

Summary
Name:(2R)-N-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
Synonyms:N-heptylpantothenamide
Formula:C16 H32 N2 O4
Formal charge:0
Formula weight:316.436 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-N-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
OpenEye OEToolkits1.7.2(2R)-N-[3-(heptylamino)-3-oxidanylidene-propyl]-3,3-dimethyl-2,4-bis(oxidanyl)butanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NCCC(=O)NCCCCCCC)C(O)C(C)(C)CO
InChIInChI1.03InChI=1S/C16H32N2O4/c1-4-5-6-7-8-10-17-13(20)9-11-18-15(22)14(21)16(2,3)12-19/h14,19,21H,4-12H2,1-3H3,(H,17,20)(H,18,22)/t14-/m0/s1
InChIKeyInChI1.03HHAVGBXLGVYXFF-AWEZNQCLSA-N
SMILES_CANONICALCACTVS3.370CCCCCCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO
SMILESCACTVS3.370CCCCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO
SMILES_CANONICALOpenEye OEToolkits1.7.2CCCCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O
SMILESOpenEye OEToolkits1.7.2CCCCCCCNC(=O)CCNC(=O)C(C(C)(C)CO)O

218853

PDB entries from 2024-04-24

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