PDB CCD ID: | SXH | ||||||||||||
Number of entries in BioLiP: | 2 | ||||||||||||
Chemical formula: | C17 H33 N2 O8 P S | ||||||||||||
InChI: | InChI=1S/C17H33N2O8PS/c1-4-5-6-7-14(21)29-11-10-18-13(20)8-9-19-16(23)15(22)17(2,3)12-27-28(24,25)26/h15,22H,4-12H2,1-3H3,(H,18,20)(H,19,23)(H2,24,25,26)/t15-/m1/s1 | ||||||||||||
InChIKey: | KGMBPSVUBJAAEN-OAHLLOKOSA-N | ||||||||||||
SMILES: |
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Name: | S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate | ||||||||||||
DrugBank: | DB08585 | ||||||||||||
ZINC: | ZINC000053683237 |