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LSM-10791

PropertiesImage
MNX_IDMNXM528176 Image of MNXM528176
referencechebi:99412
formulaC30H33FN2O4
global charge0
mol weight504.602
InChIKeyHTGRXZBGTMWDTQ-YHGPEZAFSA-N
InChIInChI=1S/C30H33FN2O4/c1-20-16-33(21(2)18-34)30(36)27-11-7-6-10-26(27)25-9-5-4-8-23(25)19-37-28(20)17-32(3)29(35)22-12-14-24(31)15-13-22/h4-15,20-21,28,34H,16-19H2,1-3H3/t20-,21-,28+/m0/s1
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)C2=CC=CC=C2C2=CC=CC=C2CO[C@@H]1CN(C)C(=O)C1=CC=C(F)C=C1
MNX internals
InChI (mnx)InChI=1/C30H33FN2O4/c1-20-16-33(21(2)18-34)30(36)27-11-7-6-10-26(27)25-9-5-4-8-23(25)19-37-28(20)17-32(3)29(35)22-12-14-24(31)15-13-22/h4-15,20-21,28,34H,16-19H2,1-3H3/t20-,21-,28+/m0/s1 Image of MNXM528176
SMILES (mnx)[CH3:1][C@H:20]1[CH2:16][N:33]([C@@H:21]([CH3:2])[CH2:18][OH:34])[C:30](=[O:36])[C:27]2=[CH:11][CH:7]=[CH:6][CH:10]=[C:26]2[C:25]2=[CH:9][CH:5]=[CH:4][CH:8]=[C:23]2[CH2:19][O:37][C@@H:28]1[CH2:17][N:32]([CH3:3])[C:29]([C:22]1=[CH:13][CH:15]=[C:24]([F:31])[CH:14]=[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:99412
chebi:99412
HTGRXZBGTMWDTQ-YHGPEZAFSA-N 		LSM-10791