1-[[(2S,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea

Properties Image MNX_ID MNXM341525 reference chebi:113911 formula C28H37N5O5 global charge 0 mol weight 523.634 InChIKey HTMGNWWTKIFEMM-ZYLNGJIFSA-N InChI InChI=1S/C28H37N5O5/c1-19-16-33(20(2)18-34)27(35)24-14-21(8-7-13-31(3)4)15-29-26(24)38-25(19)17-32(5)28(36)30-22-9-11-23(37-6)12-10-22/h9-12,14-15,19-20,25,34H,13,16-18H2,1-6H3,(H,30,36)/t19-,20-,25+/m0/s1 SMILES COC1=CC=C(NC(=O)N(C)C[C@H]2OC3=C(C=C(C#CCN(C)C)C=N3)C(=O)N([C@@H](C)CO)C[C@@H]2C)C=C1 MNX internals InChI (mnx) InChI=1/C28H37N5O5/c1-19-16-33(20(2)18-34)27(35)24-14-21(8-7-13-31(3)4)15-29-26(24)38-25(19)17-32(5)28(36)30-22-9-11-23(37-6)12-10-22/h9-12,14-15,19-20,25,34H,13,16-18H2,1-6H3,(H,30,36)/t19-,20-,25+/m0/s1 SMILES (mnx) [CH3:1][C@H:19]1[CH2:16][N:33]([C@@H:20]([CH3:2])[CH2:18][OH:34])[C:27](=[O:35])[C:24]2=[C:26]([N:29]=[CH:15][C:21]([C:8]#[C:7][CH2:13][N:31]([CH3:3])[CH3:4])=[CH:14]2)[O:38][C@@H:25]1[CH2:17][N:32]([CH3:5])[C:28]([NH:30][C:22]1=[CH:10][CH:12]=[C:23]([O:37][CH3:6])[CH:11]=[CH:9]1)=[O:36]

Parent-child relations graph

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