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

Properties Image MNX_ID MNXM341694 reference chebi:104787 formula C33H55N5O6 global charge 0 mol weight 617.832 InChIKey RSKGZFLSRBPJST-XZSZPMDUSA-N InChI InChI=1S/C33H55N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24-,25-,30-/m0/s1 SMILES CC(C)NC(=O)N(C)C[C@@H]1OCCCC[C@H](C)OC2=C(C=C(NC(=O)NC3CCCCC3)C=C2)C(=O)N([C@@H](C)CO)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C33H55N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24-,25-,30-/m0/s1 SMILES (mnx) [CH3:1][CH:22]([CH3:2])[N:34]=[C:33]([N:37]([CH3:6])[CH2:20][C@H:30]1[C@@H:23]([CH3:3])[CH2:19][N:38]([C@@H:24]([CH3:4])[CH2:21][OH:39])[C:31](=[O:40])[C:28]2=[CH:18][C:27]([NH:36][C:32](=[N:35][CH:26]3[CH2:13][CH2:8][CH2:7][CH2:9][CH2:14]3)[OH:41])=[CH:15][CH:16]=[C:29]2[O:44][C@@H:25]([CH3:5])[CH2:12][CH2:10][CH2:11][CH2:17][O:43]1)[OH:42]

Parent-child relations graph

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