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LSM-12318

PropertiesImage
MNX_IDMNXM528458 Image of MNXM528458
referencechebi:100945
formulaC34H39N3O5
global charge0
mol weight569.702
InChIKeyLTECXWQWCPQLLD-DDFCPOBKSA-N
InChIInChI=1S/C34H39N3O5/c1-22-17-37(23(2)20-38)33(39)32-31(28-14-7-8-15-29(28)36(32)4)27-13-6-5-11-26(27)21-42-30(22)19-35(3)18-24-10-9-12-25(16-24)34(40)41/h5-16,22-23,30,38H,17-21H2,1-4H3,(H,40,41)/t22-,23+,30+/m0/s1
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2=CC=CC(C(=O)O)=C2)OCC2=CC=CC=C2C2=C(C1=O)N(C)C1=CC=CC=C12
MNX internals
InChI (mnx)InChI=1/C34H39N3O5/c1-22-17-37(23(2)20-38)33(39)32-31(28-14-7-8-15-29(28)36(32)4)27-13-6-5-11-26(27)21-42-30(22)19-35(3)18-24-10-9-12-25(16-24)34(40)41/h5-16,22-23,30,38H,17-21H2,1-4H3,(H,40,41)/t22-,23+,30+/m0/s1 Image of MNXM528458
SMILES (mnx)[CH3:1][C@H:22]1[CH2:17][N:37]([C@H:23]([CH3:2])[CH2:20][OH:38])[C:33](=[O:39])[C:32]2=[C:31]([C:27]3=[CH:13][CH:6]=[CH:5][CH:11]=[C:26]3[CH2:21][O:42][C@@H:30]1[CH2:19][N:35]([CH3:3])[CH2:18][C:24]1=[CH:16][C:25]([C:34](=[O:40])[OH:41])=[CH:12][CH:9]=[CH:10]1)[C:28]1=[CH:14][CH:7]=[CH:8][CH:15]=[C:29]1[N:36]2[CH3:4]
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:100945
chebi:100945
LTECXWQWCPQLLD-DDFCPOBKSA-N 		LSM-12318