1-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea

Properties Image MNX_ID MNXM340040 reference chebi:103344 formula C32H49N5O5 global charge 0 mol weight 583.774 InChIKey YBLKRDGTGIUFGT-RZDWVWPCSA-N InChI InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/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)CC1=CC=NC=C1)[C@@H](C)CN([C@H](C)CO)C2=O MNX internals InChI (mnx) InChI=1/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24+,25+,30+/m0/s1 SMILES (mnx) [CH3:1][CH:22]([CH3:2])[N:34]=[C:32]([NH:35][C:27]1=[CH:10][CH:11]=[C:29]2[C:28](=[CH:17]1)[C:31](=[O:39])[N:37]([C@H:24]([CH3:4])[CH2:21][OH:38])[CH2:18][C@H:23]([CH3:3])[C@@H:30]([CH2:20][N:36]([CH3:6])[CH2:19][C:26]1=[CH:13][CH:15]=[N:33][CH:14]=[CH:12]1)[O:41][CH2:16][CH2:8][CH2:7][CH2:9][C@@H:25]([CH3:5])[O:42]2)[OH:40]

Parent-child relations graph

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