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LSM-38929

PropertiesImage
MNX_IDMNXM530055 Image of MNXM530055
referencechebi:127371
formulaC28H34N4O4S
global charge0
mol weight522.671
InChIKeyUAWGSLKNHZLEPQ-OREGWCPLSA-N
InChIInChI=1S/C28H34N4O4S/c1-21-16-32(22(2)19-33)37(34,35)28-12-11-24(10-9-23-7-5-4-6-8-23)13-26(28)36-27(21)18-31(3)17-25-14-29-20-30-15-25/h4-15,20-22,27,33H,16-19H2,1-3H3/t21-,22+,27+/m0/s1
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2=CN=CN=C2)OC2=C(C=CC(C=CC3=CC=CC=C3)=C2)S1(=O)=O
MNX internals
InChI (mnx)InChI=1/C28H34N4O4S/c1-21-16-32(22(2)19-33)37(34,35)28-12-11-24(10-9-23-7-5-4-6-8-23)13-26(28)36-27(21)18-31(3)17-25-14-29-20-30-15-25/h4-15,20-22,27,33H,16-19H2,1-3H3/b10-9?/t21-,22+,27+/m0/s1 Image of MNXM530055
SMILES (mnx)[CH3:1][C@H:21]1[CH2:16][N:32]([C@H:22]([CH3:2])[CH2:19][OH:33])[S:37](=[O:34])(=[O:35])[C:28]2=[C:26]([CH:13]=[C:24]([CH:10]=[CH:9][C:23]3=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]3)[CH:11]=[CH:12]2)[O:36][C@@H:27]1[CH2:18][N:31]([CH3:3])[CH2:17][C:25]1=[CH:14][N:29]=[CH:20][N:30]=[CH:15]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:127371
chebi:127371
UAWGSLKNHZLEPQ-OREGWCPLSA-N 		LSM-38929