1-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea

Properties Image MNX_ID MNXM341634 reference chebi:103512 formula C33H49N5O6 global charge 0 mol weight 611.784 InChIKey GBDHSNMZLIRBLK-ZQIPMTRKSA-N InChI InChI=1S/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24-,25+,30+/m0/s1 SMILES CC(C)NC(=O)NC1=CC2=C(C=C1)O[C@H](C)CCCCO[C@H](CN(C)C(=O)NC1=CC=CC=C1)[C@@H](C)CN([C@@H](C)CO)C2=O MNX internals InChI (mnx) InChI=1/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24-,25+,30+/m0/s1 SMILES (mnx) [CH3:1][CH:22]([CH3:2])[N:34]=[C:32]([NH:35][C:27]1=[CH:15][CH:16]=[C:29]2[C:28](=[CH:18]1)[C:31](=[O:40])[N:38]([C@@H:24]([CH3:4])[CH2:21][OH:39])[CH2:19][C@H:23]([CH3:3])[C@@H:30]([CH2:20][N:37]([CH3:6])[C:33](=[N:36][C:26]1=[CH:13][CH:8]=[CH:7][CH:9]=[CH:14]1)[OH:42])[O:43][CH2:17][CH2:11][CH2:10][CH2:12][C@@H:25]([CH3:5])[O:44]2)[OH:41]

Parent-child relations graph

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