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TMC-86A

PropertiesImage
MNX_IDMNXM113589 Image of MNXM113589
referencechebi:66242
formulaC16H26N2O6
global charge0
mol weight342.392
InChIKeyJVPIPRZCKOLWKU-BGMSHATGSA-N
InChIInChI=1S/C16H26N2O6/c1-4-5-13(21)17-12(7-19)15(23)18-11(6-10(2)3)14(22)16(8-20)9-24-16/h11-12,19-20H,2,4-9H2,1,3H3,(H,17,21)(H,18,23)/t11?,12-,16?/m0/s1
SMILESC=C(C)CC(NC(=O)[C@H](CO)NC(=O)CCC)C(=O)C1(CO)CO1
MNX internals
InChI (mnx)InChI=1/C16H26N2O6/c1-4-5-13(21)17-12(7-19)15(23)18-11(6-10(2)3)14(22)16(8-20)9-24-16/h11-12,19-20H,2,4-9H2,1,3H3,(H,17,21)(H,18,23)/t11?,12-,16?/m0/s1 Image of MNXM113589
SMILES (mnx)[CH3:1][CH2:4][CH2:5][C:13](=[N:17][C@@H:12]([CH2:7][OH:19])[C:15](=[N:18][CH:11]([CH2:6][C:10](=[CH2:2])[CH3:3])[C:14]([C:16]1([CH2:8][OH:20])[CH2:9][O:24]1)=[O:22])[OH:23])[OH:21]
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:66242
chebi:66242
JVPIPRZCKOLWKU-BGMSHATGSA-N 		TMC-86A
N-[(2S)-3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-3-methylbutanamide