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LSM-13443

PropertiesImage
MNX_IDMNXM528648 Image of MNXM528648
referencechebi:102083
formulaC32H38N2O4
global charge0
mol weight514.666
InChIKeyVTQGPDBOURHJNB-HTWFIQDWSA-N
InChIInChI=1S/C32H38N2O4/c1-22-18-34(23(2)20-35)32(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-38-30(22)19-33(4)31(36)24(3)25-12-6-5-7-13-25/h5-17,22-24,30,35H,18-21H2,1-4H3/t22-,23-,24+,30-/m1/s1
SMILESC[C@H](C(=O)N(C)C[C@H]1OCC2=CC=CC=C2C2=CC=CC=C2C(=O)N([C@H](C)CO)C[C@H]1C)C1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C32H38N2O4/c1-22-18-34(23(2)20-35)32(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-38-30(22)19-33(4)31(36)24(3)25-12-6-5-7-13-25/h5-17,22-24,30,35H,18-21H2,1-4H3/t22-,23-,24+,30-/m1/s1 Image of MNXM528648
SMILES (mnx)[CH3:1][C@@H:22]1[CH2:18][N:34]([C@H:23]([CH3:2])[CH2:20][OH:35])[C:32](=[O:37])[C:29]2=[CH:17][CH:11]=[CH:10][CH:16]=[C:28]2[C:27]2=[CH:15][CH:9]=[CH:8][CH:14]=[C:26]2[CH2:21][O:38][C@@H:30]1[CH2:19][N:33]([CH3:4])[C:31]([C@@H:24]([CH3:3])[C:25]1=[CH:12][CH:6]=[CH:5][CH:7]=[CH:13]1)=[O:36]
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:102083
chebi:102083
VTQGPDBOURHJNB-HTWFIQDWSA-N 		LSM-13443