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LSM-10728

PropertiesImage
MNX_IDMNXM528165 Image of MNXM528165
referencechebi:99349
formulaC31H36N2O4
global charge0
mol weight500.639
InChIKeyVEXUQYCDGUTBQK-AFKLWXAFSA-N
InChIInChI=1S/C31H36N2O4/c1-22-18-33(23(2)20-34)31(36)28-16-10-9-15-27(28)26-14-8-7-13-25(26)21-37-29(22)19-32(3)30(35)17-24-11-5-4-6-12-24/h4-16,22-23,29,34H,17-21H2,1-3H3/t22-,23+,29+/m1/s1
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)C2=CC=CC=C2C2=CC=CC=C2CO[C@H]1CN(C)C(=O)CC1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C31H36N2O4/c1-22-18-33(23(2)20-34)31(36)28-16-10-9-15-27(28)26-14-8-7-13-25(26)21-37-29(22)19-32(3)30(35)17-24-11-5-4-6-12-24/h4-16,22-23,29,34H,17-21H2,1-3H3/t22-,23+,29+/m1/s1 Image of MNXM528165
SMILES (mnx)[CH3:1][C@@H:22]1[CH2:18][N:33]([C@@H:23]([CH3:2])[CH2:20][OH:34])[C:31](=[O:36])[C:28]2=[CH:16][CH:10]=[CH:9][CH:15]=[C:27]2[C:26]2=[CH:14][CH:8]=[CH:7][CH:13]=[C:25]2[CH2:21][O:37][C@H:29]1[CH2:19][N:32]([CH3:3])[C:30]([CH2:17][C:24]1=[CH:11][CH:5]=[CH:4][CH:6]=[CH:12]1)=[O:35]
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:99349
chebi:99349
VEXUQYCDGUTBQK-AFKLWXAFSA-N 		LSM-10728