1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea

Properties Image MNX_ID MNXM339709 reference chebi:94926 formula C34H38N4O7S global charge 0 mol weight 646.766 InChIKey FXIXTIXYCSOXIT-INEJIFKHSA-N InChI InChI=1S/C34H38N4O7S/c1-22-19-38(23(2)21-39)33(40)28-12-8-14-30(36-34(41)35-29-13-7-10-24-9-5-6-11-27(24)29)32(28)45-31(22)20-37(3)46(42,43)26-17-15-25(44-4)16-18-26/h5-18,22-23,31,39H,19-21H2,1-4H3,(H2,35,36,41)/t22-,23+,31+/m0/s1 SMILES COC1=CC=C(S(=O)(=O)N(C)C[C@H]2OC3=C(C=CC=C3NC(=O)NC3=CC=CC4=CC=CC=C43)C(=O)N([C@H](C)CO)C[C@@H]2C)C=C1 MNX internals InChI (mnx) InChI=1/C34H38N4O7S/c1-22-19-38(23(2)21-39)33(40)28-12-8-14-30(36-34(41)35-29-13-7-10-24-9-5-6-11-27(24)29)32(28)45-31(22)20-37(3)46(42,43)26-17-15-25(44-4)16-18-26/h5-18,22-23,31,39H,19-21H2,1-4H3,(H2,35,36,41)/t22-,23+,31+/m0/s1 SMILES (mnx) [CH3:1][C@H:22]1[CH2:19][N:38]([C@H:23]([CH3:2])[CH2:21][OH:39])[C:33](=[O:40])[C:28]2=[C:32]([C:30]([NH:36][C:34](=[N:35][C:29]3=[CH:13][CH:7]=[CH:10][C:24]4=[CH:9][CH:5]=[CH:6][CH:11]=[C:27]43)[OH:41])=[CH:14][CH:8]=[CH:12]2)[O:45][C@@H:31]1[CH2:20][N:37]([CH3:3])[S:46]([C:26]1=[CH:18][CH:16]=[C:25]([O:44][CH3:4])[CH:15]=[CH:17]1)(=[O:42])=[O:43]

Parent-child relations graph

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