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LSM-14523

PropertiesImage
MNX_IDMNXM528840 Image of MNXM528840
referencechebi:103178
formulaC31H38N4O6S
global charge0
mol weight594.734
InChIKeyHAVPCKYPPPKWEI-JVAFGIKQSA-N
InChIInChI=1S/C31H38N4O6S/c1-19-15-35(20(2)17-36)31(37)29-28(25-13-9-10-14-26(25)34(29)6)24-12-8-7-11-23(24)18-40-27(19)16-33(5)42(38,39)30-21(3)32-41-22(30)4/h7-14,19-20,27,36H,15-18H2,1-6H3/t19-,20+,27+/m1/s1
SMILESCC1=NOC(C)=C1S(=O)(=O)N(C)C[C@@H]1OCC2=CC=CC=C2C2=C(C(=O)N([C@@H](C)CO)C[C@H]1C)N(C)C1=CC=CC=C12
MNX internals
InChI (mnx)InChI=1/C31H38N4O6S/c1-19-15-35(20(2)17-36)31(37)29-28(25-13-9-10-14-26(25)34(29)6)24-12-8-7-11-23(24)18-40-27(19)16-33(5)42(38,39)30-21(3)32-41-22(30)4/h7-14,19-20,27,36H,15-18H2,1-6H3/t19-,20+,27+/m1/s1 Image of MNXM528840
SMILES (mnx)[CH3:1][C@@H:19]1[CH2:15][N:35]([C@@H:20]([CH3:2])[CH2:17][OH:36])[C:31](=[O:37])[C:29]2=[C:28]([C:24]3=[CH:12][CH:8]=[CH:7][CH:11]=[C:23]3[CH2:18][O:40][C@H:27]1[CH2:16][N:33]([CH3:5])[S:42]([C:30]1=[C:22]([CH3:4])[O:41][N:32]=[C:21]1[CH3:3])(=[O:38])=[O:39])[C:25]1=[CH:13][CH:9]=[CH:10][CH:14]=[C:26]1[N:34]2[CH3:6]
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:103178
chebi:103178
HAVPCKYPPPKWEI-JVAFGIKQSA-N 		LSM-14523