Cyclothialidine

Molecular Formula: C₂₆H₃₅N₅O₁₂S

InChI: InChI=1/C26H35N5O12S/c1-10-17(34)5-18(35)12-8-44-9-15(22(37)28-11(2)25(40)41)30-21(36)14(7-43-26(42)19(10)12)29-23(38)20-16(33)3-4-31(20)24(39)13(27)6-32/h5,11,13-16,20,32-35H,3-4,6-9,27H2,1-2H3,(H,28,37)(H,29,38)(H,30,36)(H,40,41)/t11-,13?,14-,15-,16+,20-/m0/s1/f/h28-30,40H

InChIKey: InChIKey=HMHQWJDFNVJCHA-LMACEEAIDC
SMILES: CC1=C(C=C(C2=C1C(=O)OCC(C(=O)NC(CSC2)C(=O)NC(C)C(=O)O)NC(=O)C3C(CCN3C(=O)C(CO)N)O)O)O

Names:
    Cyclothialidine
    C12057
    (2S)-2-[[(5S,8S)-5-[[(2S,3R)-1-(2-amino-3-hydroxy-propanoyl)-3-hydroxy-pyrrolidine-2-carbonyl]amino]-13,15-dihydroxy-16-methyl-2,6-dioxo-3-oxa-10-thia-7-azabicyclo[10.4.0]hexadeca-12,14,16-triene-8-carbonyl]amino]propanoic acid
    147214-63-9

Registries:
    PubChem CID 443601
    PubChem ID 14212