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LSM-13581

PropertiesImage
MNX_IDMNXM528671 Image of MNXM528671
referencechebi:102225
formulaC32H39N5O5
global charge0
mol weight573.694
InChIKeyWBCPGODJHKXDGU-OSOCVKALSA-N
InChIInChI=1S/C32H39N5O5/c1-19-15-37(20(2)17-38)31(39)30-28(25-13-9-10-14-26(25)36(30)6)24-12-8-7-11-23(24)18-41-27(19)16-35(5)32(40)33-29-21(3)34-42-22(29)4/h7-14,19-20,27,38H,15-18H2,1-6H3,(H,33,40)/t19-,20-,27-/m0/s1
SMILESCC1=NOC(C)=C1NC(=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/C32H39N5O5/c1-19-15-37(20(2)17-38)31(39)30-28(25-13-9-10-14-26(25)36(30)6)24-12-8-7-11-23(24)18-41-27(19)16-35(5)32(40)33-29-21(3)34-42-22(29)4/h7-14,19-20,27,38H,15-18H2,1-6H3,(H,33,40)/t19-,20-,27-/m0/s1 Image of MNXM528671
SMILES (mnx)[CH3:1][C@H:19]1[CH2:15][N:37]([C@@H:20]([CH3:2])[CH2:17][OH:38])[C:31](=[O:39])[C:30]2=[C:28]([C:24]3=[CH:12][CH:8]=[CH:7][CH:11]=[C:23]3[CH2:18][O:41][C@H:27]1[CH2:16][N:35]([CH3:5])[C:32](=[N:33][C:29]1=[C:22]([CH3:4])[O:42][N:34]=[C:21]1[CH3:3])[OH:40])[C:25]1=[CH:13][CH:9]=[CH:10][CH:14]=[C:26]1[N:36]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:102225
chebi:102225
WBCPGODJHKXDGU-OSOCVKALSA-N 		LSM-13581