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LSM-11805

PropertiesImage
MNX_IDMNXM528355 Image of MNXM528355
referencechebi:100430
formulaC30H37N3O4
global charge0
mol weight503.643
InChIKeyYAQCSVWFCUIVLJ-OUDXUNEISA-N
InChIInChI=1S/C30H37N3O4/c1-19-15-33(20(2)17-34)30(36)28-27(24-11-7-8-12-25(24)32(28)4)23-10-6-5-9-22(23)18-37-26(19)16-31(3)29(35)21-13-14-21/h5-12,19-21,26,34H,13-18H2,1-4H3/t19-,20+,26+/m0/s1
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)C2CC2)OCC2=CC=CC=C2C2=C(C1=O)N(C)C1=CC=CC=C12
MNX internals
InChI (mnx)InChI=1/C30H37N3O4/c1-19-15-33(20(2)17-34)30(36)28-27(24-11-7-8-12-25(24)32(28)4)23-10-6-5-9-22(23)18-37-26(19)16-31(3)29(35)21-13-14-21/h5-12,19-21,26,34H,13-18H2,1-4H3/t19-,20+,26+/m0/s1 Image of MNXM528355
SMILES (mnx)[CH3:1][C@H:19]1[CH2:15][N:33]([C@H:20]([CH3:2])[CH2:17][OH:34])[C:30](=[O:36])[C:28]2=[C:27]([C:23]3=[CH:10][CH:6]=[CH:5][CH:9]=[C:22]3[CH2:18][O:37][C@@H:26]1[CH2:16][N:31]([CH3:3])[C:29]([CH:21]1[CH2:13][CH2:14]1)=[O:35])[C:24]1=[CH:11][CH:7]=[CH:8][CH:12]=[C:25]1[N:32]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:100430
chebi:100430
YAQCSVWFCUIVLJ-OUDXUNEISA-N 		LSM-11805