Search MNXref
 Feedback

LSM-11871

PropertiesImage
MNX_IDMNXM528372 Image of MNXM528372
referencechebi:100497
formulaC29H31N5O3
global charge0
mol weight497.599
InChIKeyDPJGOJUVSBIVRD-ZDEZRRDYSA-N
InChIInChI=1S/C29H31N5O3/c35-18-23-25-17-34-24(11-10-22(29(34)37)20-7-1-2-8-20)27(33(25)16-19-6-5-12-30-14-19)26(23)28(36)32-15-21-9-3-4-13-31-21/h3-7,9-14,23,25-27,35H,1-2,8,15-18H2,(H,32,36)/t23-,25-,26+,27+/m1/s1
SMILESO=C(NCC1=CC=CC=N1)[C@H]1[C@H](CO)[C@H]2CN3C(=O)C(C4=CCCC4)=CC=C3[C@@H]1N2CC1=CN=CC=C1
MNX internals
InChI (mnx)InChI=1/C29H31N5O3/c35-18-23-25-17-34-24(11-10-22(29(34)37)20-7-1-2-8-20)27(33(25)16-19-6-5-12-30-14-19)26(23)28(36)32-15-21-9-3-4-13-31-21/h3-7,9-14,23,25-27,35H,1-2,8,15-18H2,(H,32,36)/t23-,25-,26+,27+/m1/s1 Image of MNXM528372
SMILES (mnx)[CH2:1]1[CH2:2][CH2:8][C:20]([C:22]2=[CH:10][CH:11]=[C:24]3[C@H:27]4[C@@H:26]([C:28](=[N:32][CH2:15][C:21]5=[CH:9][CH:3]=[CH:4][CH:13]=[N:31]5)[OH:36])[C@H:23]([CH2:18][OH:35])[C@@H:25]([CH2:17][N:34]3[C:29]2=[O:37])[N:33]4[CH2:16][C:19]2=[CH:14][N:30]=[CH:12][CH:5]=[CH:6]2)=[CH:7]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:100497
chebi:100497
DPJGOJUVSBIVRD-ZDEZRRDYSA-N 		LSM-11871