(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one

Properties Image MNX_ID MNXM173722 reference chebi:113302 formula C26H40N6O4 global charge 0 mol weight 500.644 InChIKey VRVGAAPGNIASDT-DFIYOIEZSA-N InChI InChI=1S/C26H40N6O4/c1-19-13-32(20(2)17-33)26(34)6-5-9-31-15-22(27-28-31)18-36-25(19)16-29(3)14-21-7-8-23-24(12-21)35-11-10-30(23)4/h7-8,12,15,19-20,25,33H,5-6,9-11,13-14,16-18H2,1-4H3/t19-,20+,25-/m0/s1 SMILES C[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2=CC3=C(C=C2)N(C)CCO3)OCC2=CN(CCCC1=O)N=N2 MNX internals InChI (mnx) InChI=1/C26H40N6O4/c1-19-13-32(20(2)17-33)26(34)6-5-9-31-15-22(27-28-31)18-36-25(19)16-29(3)14-21-7-8-23-24(12-21)35-11-10-30(23)4/h7-8,12,15,19-20,25,33H,5-6,9-11,13-14,16-18H2,1-4H3/t19-,20+,25-/m0/s1 SMILES (mnx) [CH3:1][C@H:19]1[CH2:13][N:32]([C@H:20]([CH3:2])[CH2:17][OH:33])[C:26](=[O:34])[CH2:6][CH2:5][CH2:9][N:31]2[CH:15]=[C:22]([CH2:18][O:36][C@H:25]1[CH2:16][N:29]([CH3:3])[CH2:14][C:21]1=[CH:12][C:24]3=[C:23]([CH:8]=[CH:7]1)[N:30]([CH3:4])[CH2:10][CH2:11][O:35]3)[N:27]=[N:28]2

Parent-child relations graph

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