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LSM-14614

PropertiesImage
MNX_IDMNXM528890 Image of MNXM528890
referencechebi:103270
formulaC26H31N3O3
global charge0
mol weight433.552
InChIKeySKIOLEAINHAYRR-ZQRMPTRQSA-N
InChIInChI=1S/C26H31N3O3/c1-3-7-16-10-11-22-23-20(14-29(22)26(16)32)21(15-30)24(28(23)4-2)25(31)27-19-12-17-8-5-6-9-18(17)13-19/h3,5-11,19-21,23-24,30H,4,12-15H2,1-2H3,(H,27,31)/t20-,21-,23+,24-/m0/s1
SMILESCC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@H](CO)[C@@H](C(=O)NC1CC2=CC=CC=C2C1)N3CC
MNX internals
InChI (mnx)InChI=1/C26H31N3O3/c1-3-7-16-10-11-22-23-20(14-29(22)26(16)32)21(15-30)24(28(23)4-2)25(31)27-19-12-17-8-5-6-9-18(17)13-19/h3,5-11,19-21,23-24,30H,4,12-15H2,1-2H3,(H,27,31)/b7-3?/t20-,21-,23+,24-/m0/s1 Image of MNXM528890
SMILES (mnx)[CH3:1][CH:3]=[CH:7][C:16]1=[CH:10][CH:11]=[C:22]2[C@H:23]3[C@@H:20]([CH2:14][N:29]2[C:26]1=[O:32])[C@H:21]([CH2:15][OH:30])[C@@H:24]([C:25](=[N:27][CH:19]1[CH2:12][C:17]2=[CH:8][CH:5]=[CH:6][CH:9]=[C:18]2[CH2:13]1)[OH:31])[N:28]3[CH2:4][CH3:2]
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:103270
chebi:103270
SKIOLEAINHAYRR-ZQRMPTRQSA-N 		LSM-14614