1-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)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 MNXM340091 reference chebi:111085 formula C33H50N4O5 global charge 0 mol weight 582.786 InChIKey SIHQACFNVCTPOW-PCEYSVKOSA-N InChI InChI=1S/C33H50N4O5/c1-23(2)34-33(40)35-28-15-16-30-29(18-28)32(39)37(25(4)22-38)19-24(3)31(41-17-11-10-12-26(5)42-30)21-36(6)20-27-13-8-7-9-14-27/h7-9,13-16,18,23-26,31,38H,10-12,17,19-22H2,1-6H3,(H2,34,35,40)/t24-,25-,26+,31+/m1/s1 SMILES CC(C)NC(=O)NC1=CC2=C(C=C1)O[C@@H](C)CCCCO[C@@H](CN(C)CC1=CC=CC=C1)[C@H](C)CN([C@H](C)CO)C2=O MNX internals InChI (mnx) InChI=1/C33H50N4O5/c1-23(2)34-33(40)35-28-15-16-30-29(18-28)32(39)37(25(4)22-38)19-24(3)31(41-17-11-10-12-26(5)42-30)21-36(6)20-27-13-8-7-9-14-27/h7-9,13-16,18,23-26,31,38H,10-12,17,19-22H2,1-6H3,(H2,34,35,40)/t24-,25-,26+,31+/m1/s1 SMILES (mnx) [CH3:1][CH:23]([CH3:2])[N:34]=[C:33]([NH:35][C:28]1=[CH:15][CH:16]=[C:30]2[C:29](=[CH:18]1)[C:32](=[O:39])[N:37]([C@H:25]([CH3:4])[CH2:22][OH:38])[CH2:19][C@@H:24]([CH3:3])[C@H:31]([CH2:21][N:36]([CH3:6])[CH2:20][C:27]1=[CH:13][CH:8]=[CH:7][CH:9]=[CH:14]1)[O:41][CH2:17][CH2:11][CH2:10][CH2:12][C@H:26]([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