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1-O-(N-benzyloxycarbonylaminoethyl)-3-O-benzoyl-alpha-anthroside

PropertiesImage
MNX_IDMNXM32919 Image of MNXM32919
referencechebi:61066
formulaC29H38N2O9
global charge0
mol weight558.628
InChIKeyWJXPCJRIOGIVLM-USLKBVJRSA-N
InChIInChI=1S/C29H38N2O9/c1-19-23(31-22(32)17-29(2,3)35)24(40-26(33)21-13-9-6-10-14-21)25(36-4)27(39-19)37-16-15-30-28(34)38-18-20-11-7-5-8-12-20/h5-14,19,23-25,27,35H,15-18H2,1-4H3,(H,30,34)(H,31,32)/t19-,23-,24+,25-,27+/m1/s1
SMILESCO[C@H]1[C@@H](OCCNC(=O)OCC2=CC=CC=C2)O[C@H](C)[C@@H](NC(=O)CC(C)(C)O)[C@@H]1OC(=O)C1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C29H38N2O9/c1-19-23(31-22(32)17-29(2,3)35)24(40-26(33)21-13-9-6-10-14-21)25(36-4)27(39-19)37-16-15-30-28(34)38-18-20-11-7-5-8-12-20/h5-14,19,23-25,27,35H,15-18H2,1-4H3,(H,30,34)(H,31,32)/t19-,23-,24+,25-,27+/m1/s1 Image of MNXM32919
SMILES (mnx)[CH3:1][C@@H:19]1[C@@H:23]([N:31]=[C:22]([CH2:17][C:29]([CH3:2])([CH3:3])[OH:35])[OH:32])[C@H:24]([O:40][C:26]([C:21]2=[CH:13][CH:9]=[CH:6][CH:10]=[CH:14]2)=[O:33])[C@@H:25]([O:36][CH3:4])[C@@H:27]([O:37][CH2:16][CH2:15][N:30]=[C:28]([OH:34])[O:38][CH2:18][C:20]2=[CH:11][CH:7]=[CH:5][CH:8]=[CH:12]2)[O:39]1
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:61066
chebi:61066
WJXPCJRIOGIVLM-USLKBVJRSA-N 		1-O-(N-benzyloxycarbonylaminoethyl)-3-O-benzoyl-alpha-anthroside
N-benzyloxycarbonylaminoethyl 3-O-benzoyl-4,6-dideoxy-4-[(3-hydroxy-3-methylbutanoyl)amino]-2-O-methyl-alpha-D-glucoside
benzyl [2-({3-O-benzoyl-4,6-dideoxy-4-[(3-hydroxy-3-methylbutanoyl)amino]-2-O-methyl-alpha-D-glucopyranosyl}oxy)ethyl]carbamate
benzyl [2-({3-O-benzoyl-4,6-dideoxy-4-[(3-hydroxy-3-methylbutanoyl)amino]-2-O-methyl-alpha-D-glucosyl}oxy)ethyl]carbamate