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LSM-14484

PropertiesImage
MNX_IDMNXM528832 Image of MNXM528832
referencechebi:103139
formulaC28H31N5O3
global charge0
mol weight485.588
InChIKeyHXYTZOMMTUQQOD-VHCQPULKSA-N
InChIInChI=1S/C28H31N5O3/c1-2-14-32-25-22(23(17-34)26(32)27(35)30-15-21-12-13-29-18-31-21)16-33-24(25)11-10-20(28(33)36)9-8-19-6-4-3-5-7-19/h3-13,18,22-23,25-26,34H,2,14-17H2,1H3,(H,30,35)/t22-,23-,25+,26-/m1/s1
SMILESCCCN1[C@@H]2C3=CC=C(C=CC4=CC=CC=C4)C(=O)N3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCC1=NC=NC=C1
MNX internals
InChI (mnx)InChI=1/C28H31N5O3/c1-2-14-32-25-22(23(17-34)26(32)27(35)30-15-21-12-13-29-18-31-21)16-33-24(25)11-10-20(28(33)36)9-8-19-6-4-3-5-7-19/h3-13,18,22-23,25-26,34H,2,14-17H2,1H3,(H,30,35)/b9-8?/t22-,23-,25+,26-/m1/s1 Image of MNXM528832
SMILES (mnx)[CH3:1][CH2:2][CH2:14][N:32]1[C@H:25]2[C@H:22]([CH2:16][N:33]3[C:24]2=[CH:11][CH:10]=[C:20]([CH:9]=[CH:8][C:19]2=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]2)[C:28]3=[O:36])[C@@H:23]([CH2:17][OH:34])[C@@H:26]1[C:27](=[N:30][CH2:15][C:21]1=[N:31][CH:18]=[N:29][CH:13]=[CH:12]1)[OH:35]
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:103139
chebi:103139
HXYTZOMMTUQQOD-VHCQPULKSA-N 		LSM-14484