PDB CCD ID: | BAV | ||||||||||||
Number of entries in BioLiP: | 6 | ||||||||||||
Chemical formula: | C29 H49 N3 O3 | ||||||||||||
InChI: | InChI=1S/C29H49N3O3/c1-21(2)25-15-12-14-24(18-25)19-30-20-27(33)26-17-22(3)13-10-8-6-7-9-11-16-28(34)32(5)23(4)29(35)31-26/h12,14-15,18,21-23,26-27,30,33H,6-11,13,16-17,19-20H2,1-5H3,(H,31,35)/t22-,23+,26+,27-/m1/s1 | ||||||||||||
InChIKey: | LHBBUGLYVFZUTH-GXVHRJHYSA-N | ||||||||||||
SMILES: |
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Name: | (3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5- dione; (3S,14R,16S)-16-[(R)-1-Hydroxy-2-(3-isopropyl-benzylamino)-ethyl]-3,4,14-trimethyl-1,4diaza-cyclohexadecane-2,5-dione | ||||||||||||
ChEMBL: | CHEMBL564010 | ||||||||||||
ZINC: | ZINC000039187969 |

Reference: