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TMC-89B

PropertiesImage
MNX_IDMNXM113592 Image of MNXM113592
referencechebi:66282
formulaC21H36N4O9
global charge0
mol weight488.538
InChIKeySCVCWUHUBWSKHS-VJUMYARRSA-N
InChIInChI=1S/C21H36N4O9/c1-9(2)6-13(16(29)21(7-26)8-34-21)23-19(32)14(11(4)27)25-20(33)15(12(5)28)24-18(31)10(3)17(22)30/h9-15,26-28H,6-8H2,1-5H3,(H2,22,30)(H,23,32)(H,24,31)(H,25,33)/t10-,11+,12+,13?,14-,15-,21?/m0/s1
SMILESCC(C)CC(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](C)C(N)=O)[C@@H](C)O)[C@@H](C)O)C(=O)C1(CO)CO1
MNX internals
InChI (mnx)InChI=1/C21H36N4O9/c1-9(2)6-13(16(29)21(7-26)8-34-21)23-19(32)14(11(4)27)25-20(33)15(12(5)28)24-18(31)10(3)17(22)30/h9-15,26-28H,6-8H2,1-5H3,(H2,22,30)(H,23,32)(H,24,31)(H,25,33)/t10-,11+,12+,13?,14-,15-,21?/m0/s1 Image of MNXM113592
SMILES (mnx)[CH3:1][CH:9]([CH3:2])[CH2:6][CH:13]([C:16]([C:21]1([CH2:7][OH:26])[CH2:8][O:34]1)=[O:29])[N:23]=[C:19]([C@H:14]([C@@H:11]([CH3:4])[OH:27])[N:25]=[C:20]([C@H:15]([C@@H:12]([CH3:5])[OH:28])[N:24]=[C:18]([C@@H:10]([CH3:3])[C:17](=[NH:22])[OH:30])[OH:31])[OH:33])[OH:32]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:66282
chebi:66282
SCVCWUHUBWSKHS-VJUMYARRSA-N 		TMC-89B
N-[(2S)-3-amino-2-methyl-3-oxopropanoyl]-L-threonyl-N-{1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl}-L-threoninamide