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LSM-10936

PropertiesImage
MNX_IDMNXM528207 Image of MNXM528207
referencechebi:99557
formulaC27H28FN3O3
global charge0
mol weight461.537
InChIKeyXOPHINQZQCNQKH-CJYVJLDJSA-N
InChIInChI=1S/C27H28FN3O3/c1-16(17-8-4-3-5-9-17)29-26(33)24-20(15-32)23-14-31-22(25(24)30(23)2)13-12-19(27(31)34)18-10-6-7-11-21(18)28/h3-13,16,20,23-25,32H,14-15H2,1-2H3,(H,29,33)/t16-,20-,23-,24+,25+/m0/s1
SMILESC[C@H](NC(=O)[C@@H]1[C@@H](CO)[C@@H]2CN3C(=O)C(C4=CC=CC=C4F)=CC=C3[C@H]1N2C)C1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C27H28FN3O3/c1-16(17-8-4-3-5-9-17)29-26(33)24-20(15-32)23-14-31-22(25(24)30(23)2)13-12-19(27(31)34)18-10-6-7-11-21(18)28/h3-13,16,20,23-25,32H,14-15H2,1-2H3,(H,29,33)/t16-,20-,23-,24+,25+/m0/s1 Image of MNXM528207
SMILES (mnx)[CH3:1][C@@H:16]([C:17]1=[CH:8][CH:4]=[CH:3][CH:5]=[CH:9]1)[N:29]=[C:26]([C@@H:24]1[C@@H:20]([CH2:15][OH:32])[C@@H:23]2[CH2:14][N:31]3[C:22](=[CH:13][CH:12]=[C:19]([C:18]4=[CH:10][CH:6]=[CH:7][CH:11]=[C:21]4[F:28])[C:27]3=[O:34])[C@H:25]1[N:30]2[CH3:2])[OH:33]
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:99557
chebi:99557
XOPHINQZQCNQKH-CJYVJLDJSA-N 		LSM-10936