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LSM-12504

PropertiesImage
MNX_IDMNXM528493 Image of MNXM528493
referencechebi:101135
formulaC34H43N3O4
global charge0
mol weight557.735
InChIKeyZQFGNRPCSITOFH-JAORTXGNSA-N
InChIInChI=1S/C34H43N3O4/c1-24-20-37(25(2)22-38)33(39)30-18-12-11-17-29(30)28-16-10-9-15-27(28)23-41-32(24)21-36(5)34(40)31(35(3)4)19-26-13-7-6-8-14-26/h6-18,24-25,31-32,38H,19-23H2,1-5H3/t24-,25+,31-,32-/m1/s1
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)C2=CC=CC=C2C2=CC=CC=C2CO[C@@H]1CN(C)C(=O)[C@@H](CC1=CC=CC=C1)N(C)C
MNX internals
InChI (mnx)InChI=1/C34H43N3O4/c1-24-20-37(25(2)22-38)33(39)30-18-12-11-17-29(30)28-16-10-9-15-27(28)23-41-32(24)21-36(5)34(40)31(35(3)4)19-26-13-7-6-8-14-26/h6-18,24-25,31-32,38H,19-23H2,1-5H3/t24-,25+,31-,32-/m1/s1 Image of MNXM528493
SMILES (mnx)[CH3:1][C@@H:24]1[CH2:20][N:37]([C@@H:25]([CH3:2])[CH2:22][OH:38])[C:33](=[O:39])[C:30]2=[CH:18][CH:12]=[CH:11][CH:17]=[C:29]2[C:28]2=[CH:16][CH:10]=[CH:9][CH:15]=[C:27]2[CH2:23][O:41][C@@H:32]1[CH2:21][N:36]([CH3:5])[C:34]([C@@H:31]([CH2:19][C:26]1=[CH:13][CH:7]=[CH:6][CH:8]=[CH:14]1)[N:35]([CH3:3])[CH3:4])=[O:40]
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:101135
chebi:101135
ZQFGNRPCSITOFH-JAORTXGNSA-N 		LSM-12504