Sarecycline (USAN/INN)

Properties Image MNX_ID MNXM160981 reference keggD:D10666 formula C24H29N3O8 global charge 0 mol weight 487.509 InChIKey PQJQFLNBMSCUSH-SBAJWEJLSA-N InChI InChI=1S/C24H29N3O8/c1-26(2)18-13-8-11-7-12-10(9-27(3)35-4)5-6-14(28)16(12)19(29)15(11)21(31)24(13,34)22(32)17(20(18)30)23(25)33/h5-6,11,13,18,28,30-31,34H,7-9H2,1-4H3,(H2,25,33)/t11-,13-,18-,24-/m0/s1 SMILES CON(C)CC1=C2C[C@H]3C[C@H]4[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]4(O)C(O)=C3C(=O)C2=C(O)C=C1 MNX internals InChI (mnx) InChI=1/C24H29N3O8/c1-26(2)18-13-8-11-7-12-10(9-27(3)35-4)5-6-14(28)16(12)19(29)15(11)21(31)24(13,34)22(32)17(20(18)30)23(25)33/h5-6,11,13,18,28,30-31,34H,7-9H2,1-4H3,(H2,25,33)/t11-,13-,18-,24-/m0/s1 SMILES (mnx) [CH3:1][N:26]([CH3:2])[C@H:18]1[C@@H:13]2[CH2:8][C@@H:11]3[CH2:7][C:12]4=[C:10]([CH2:9][N:27]([CH3:3])[O:35][CH3:4])[CH:5]=[CH:6][C:14]([OH:28])=[C:16]4[C:19](=[O:29])[C:15]3=[C:21]([OH:31])[C@:24]2([OH:34])[C:22](=[O:32])[C:17]([C:23](=[NH:25])[OH:33])=[C:20]1[OH:30]

Parent-child relations graph

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