benzastatin C

Properties Image MNX_ID MNXM103024 reference chebi:65483 formula C19H27ClN2O2 global charge 0 mol weight 350.89 InChIKey AHGKSZXKDPGMQU-IEBWSBKVSA-N InChI InChI=1S/C19H27ClN2O2/c1-12(2)13(3)7-8-19(11-24-4)17(20)10-15-9-14(18(21)23)5-6-16(15)22-19/h5-6,9,17,22H,7-8,10-11H2,1-4H3,(H2,21,23)/t17-,19-/m1/s1 SMILES COC[C@@]1(CCC(C)=C(C)C)NC2=CC=C(C(N)=O)C=C2C[C@H]1Cl MNX internals InChI (mnx) InChI=1/C19H27ClN2O2/c1-12(2)13(3)7-8-19(11-24-4)17(20)10-15-9-14(18(21)23)5-6-16(15)22-19/h5-6,9,17,22H,7-8,10-11H2,1-4H3,(H2,21,23)/t17-,19-/m1/s1 SMILES (mnx) [CH3:1][C:12]([CH3:2])=[C:13]([CH3:3])[CH2:7][CH2:8][C@@:19]1([CH2:11][O:24][CH3:4])[C@H:17]([Cl:20])[CH2:10][C:15]2=[C:16]([CH:6]=[CH:5][C:14]([C:18](=[NH:21])[OH:23])=[CH:9]2)[NH:22]1

Parent-child relations graph

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