1-[(2R,3R)-2-[[(3,5-dimethyl-4-isoxazolyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea

Properties Image MNX_ID MNXM339054 reference chebi:127504 formula C26H39N5O7S global charge 0 mol weight 565.693 InChIKey ZAUKJSIMJFTPRR-DGGJZMOXSA-N InChI InChI=1S/C26H39N5O7S/c1-15(2)27-26(34)28-21-8-9-22-20(10-21)11-24(33)31(17(4)14-32)12-16(3)23(37-22)13-30(7)39(35,36)25-18(5)29-38-19(25)6/h8-10,15-17,23,32H,11-14H2,1-7H3,(H2,27,28,34)/t16-,17+,23+/m1/s1 SMILES CC1=NOC(C)=C1S(=O)(=O)N(C)C[C@@H]1OC2=C(C=C(NC(=O)NC(C)C)C=C2)CC(=O)N([C@@H](C)CO)C[C@H]1C MNX internals InChI (mnx) InChI=1/C26H39N5O7S/c1-15(2)27-26(34)28-21-8-9-22-20(10-21)11-24(33)31(17(4)14-32)12-16(3)23(37-22)13-30(7)39(35,36)25-18(5)29-38-19(25)6/h8-10,15-17,23,32H,11-14H2,1-7H3,(H2,27,28,34)/t16-,17+,23+/m1/s1 SMILES (mnx) [CH3:1][CH:15]([CH3:2])[N:27]=[C:26]([NH:28][C:21]1=[CH:10][C:20]2=[C:22]([CH:9]=[CH:8]1)[O:37][C@@H:23]([CH2:13][N:30]([CH3:7])[S:39]([C:25]1=[C:19]([CH3:6])[O:38][N:29]=[C:18]1[CH3:5])(=[O:35])=[O:36])[C@H:16]([CH3:3])[CH2:12][N:31]([C@@H:17]([CH3:4])[CH2:14][OH:32])[C:24](=[O:33])[CH2:11]2)[OH:34]

Parent-child relations graph

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