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LSM-14632

PropertiesImage
MNX_IDMNXM528908 Image of MNXM528908
referencechebi:103288
formulaC23H29N5O5S
global charge0
mol weight487.582
InChIKeyFBXKHEMXYYDERF-LMQGHGSNSA-N
InChIInChI=1S/C23H29N5O5S/c1-3-5-14-8-9-17-21-20(22(30)25-15-6-4-7-15)16(12-29)18(10-27(17)23(14)31)28(21)34(32,33)19-11-26(2)13-24-19/h3,5,8-9,11,13,15-16,18,20-21,29H,4,6-7,10,12H2,1-2H3,(H,25,30)/t16-,18-,20+,21+/m1/s1
SMILESCC=CC1=CC=C2[C@H]3[C@@H](C(=O)NC4CCC4)[C@H](CO)[C@@H](CN2C1=O)N3S(=O)(=O)C1=CN(C)C=N1
MNX internals
InChI (mnx)InChI=1/C23H29N5O5S/c1-3-5-14-8-9-17-21-20(22(30)25-15-6-4-7-15)16(12-29)18(10-27(17)23(14)31)28(21)34(32,33)19-11-26(2)13-24-19/h3,5,8-9,11,13,15-16,18,20-21,29H,4,6-7,10,12H2,1-2H3,(H,25,30)/b5-3?/t16-,18-,20+,21+/m1/s1 Image of MNXM528908
SMILES (mnx)[CH3:1][CH:3]=[CH:5][C:14]1=[CH:8][CH:9]=[C:17]2[C@H:21]3[C@@H:20]([C:22](=[N:25][CH:15]4[CH2:6][CH2:4][CH2:7]4)[OH:30])[C@H:16]([CH2:12][OH:29])[C@@H:18]([CH2:10][N:27]2[C:23]1=[O:31])[N:28]3[S:34]([C:19]1=[CH:11][N:26]([CH3:2])[CH:13]=[N:24]1)(=[O:32])=[O:33]
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:103288
chebi:103288
FBXKHEMXYYDERF-LMQGHGSNSA-N 		LSM-14632