1-[[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-16-[[(1-naphthalenylamino)-oxomethyl]amino]-13-oxo-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 MNXM341725 reference chebi:127292 formula C40H49N5O6 global charge 0 mol weight 695.861 InChIKey ROBCYMQSLYDKEM-CWJVHARTSA-N InChI InChI=1S/C40H49N5O6/c1-27-24-45(28(2)26-46)38(47)34-23-32(41-39(48)43-35-19-12-15-30-14-8-9-18-33(30)35)20-21-36(34)51-29(3)13-10-11-22-50-37(27)25-44(4)40(49)42-31-16-6-5-7-17-31/h5-9,12,14-21,23,27-29,37,46H,10-11,13,22,24-26H2,1-4H3,(H,42,49)(H2,41,43,48)/t27-,28-,29-,37+/m0/s1 SMILES C[C@H]1CCCCO[C@H](CN(C)C(=O)NC2=CC=CC=C2)[C@@H](C)CN([C@@H](C)CO)C(=O)C2=C(C=CC(NC(=O)NC3=CC=CC4=CC=CC=C43)=C2)O1 MNX internals InChI (mnx) InChI=1/C40H49N5O6/c1-27-24-45(28(2)26-46)38(47)34-23-32(41-39(48)43-35-19-12-15-30-14-8-9-18-33(30)35)20-21-36(34)51-29(3)13-10-11-22-50-37(27)25-44(4)40(49)42-31-16-6-5-7-17-31/h5-9,12,14-21,23,27-29,37,46H,10-11,13,22,24-26H2,1-4H3,(H,42,49)(H2,41,43,48)/t27-,28-,29-,37+/m0/s1 SMILES (mnx) [CH3:1][C@H:27]1[CH2:24][N:45]([C@@H:28]([CH3:2])[CH2:26][OH:46])[C:38](=[O:47])[C:34]2=[CH:23][C:32]([N:41]=[C:39]([NH:43][C:35]3=[CH:19][CH:12]=[CH:15][C:30]4=[CH:14][CH:8]=[CH:9][CH:18]=[C:33]43)[OH:48])=[CH:20][CH:21]=[C:36]2[O:51][C@@H:29]([CH3:3])[CH2:13][CH2:10][CH2:11][CH2:22][O:50][C@@H:37]1[CH2:25][N:44]([CH3:4])[C:40](=[N:42][C:31]1=[CH:16][CH:6]=[CH:5][CH:7]=[CH:17]1)[OH:49]

Parent-child relations graph

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