(1R)-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-1'-(4-oxanylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

Properties Image MNX_ID MNXM169636 reference chebi:129839 formula C27H35N5O5 global charge 0 mol weight 509.607 InChIKey VHGYWENKJQVQTR-QFIPXVFZSA-N InChI InChI=1S/C27H35N5O5/c1-16-24(17(2)37-30-16)29-26(34)32-15-27(13-31(14-27)11-18-6-8-36-9-7-18)23-20-5-4-19(35-3)10-21(20)28-25(23)22(32)12-33/h4-5,10,18,22,28,33H,6-9,11-15H2,1-3H3,(H,29,34)/t22-/m0/s1 SMILES COC1=CC2=C(C=C1)C1=C(N2)[C@H](CO)N(C(=O)NC2=C(C)ON=C2C)CC12CN(CC1CCOCC1)C2 MNX internals InChI (mnx) InChI=1/C27H35N5O5/c1-16-24(17(2)37-30-16)29-26(34)32-15-27(13-31(14-27)11-18-6-8-36-9-7-18)23-20-5-4-19(35-3)10-21(20)28-25(23)22(32)12-33/h4-5,10,18,22,28,33H,6-9,11-15H2,1-3H3,(H,29,34)/t22-/m0/s1 SMILES (mnx) [CH3:1][C:16]1=[N:30][O:37][C:17]([CH3:2])=[C:24]1[N:29]=[C:26]([N:32]1[CH2:15][C:27]2([CH2:13][N:31]([CH2:11][CH:18]3[CH2:6][CH2:8][O:36][CH2:9][CH2:7]3)[CH2:14]2)[C:23]2=[C:25]([C@@H:22]1[CH2:12][OH:33])[NH:28][C:21]1=[C:20]2[CH:5]=[CH:4][C:19]([O:35][CH3:3])=[CH:10]1)[OH:34]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0