023

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Summary

Name:N^2^-[(2R)-2-{(1S)-1-[FORMYL(HYDROXY)AMINO]ETHYL}-5-PHENYLPENTANOYL]-N,3-DIMETHYL-L-VALINAMIDE
Formula:C21 H33 N3 O4
Formal charge:0
Molecular weight:391.504 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N~2~-[(2R)-2-{(1S)-1-[formyl(hydroxy)amino]ethyl}-5-phenylpentanoyl]-N,3-dimethyl-L-valinamide
OpenEye OEToolkits1.6.1(2R)-N-[(2S)-3,3-dimethyl-1-methylamino-1-oxo-butan-2-yl]-2-[(1S)-1-(hydroxy-methanoyl-amino)ethyl]-5-phenyl-pentanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NC)C(NC(=O)C(CCCc1ccccc1)C(N(O)C=O)C)C(C)(C)C
SMILES_CANONICALCACTVS3.352CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@H](C)N(O)C=O)C(C)(C)C
SMILESCACTVS3.352CNC(=O)[CH](NC(=O)[CH](CCCc1ccccc1)[CH](C)N(O)C=O)C(C)(C)C
SMILES_CANONICALOpenEye OEToolkits1.6.1C[C@@H]([C@@H](CCCc1ccccc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)N(C=O)O
SMILESOpenEye OEToolkits1.6.1CC(C(CCCc1ccccc1)C(=O)NC(C(=O)NC)C(C)(C)C)N(C=O)O
InChIInChI1.03InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1
InChIKeyInChI1.03GHVMTHKJUAOZJP-CGTJXYLNSA-N