19-amino-13-butan-2-yl-7-(carbamoylmethyl)-N-[[1-(carbamoylmethylcarbamoyl)-3-methyl-butyl]carbamoylmethyl]-10-(1-hydroxyethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide

Molecular Formula: C39H61N11O12S2


InChI: InChI=1/C39H61N11O12S2/c1-6-19(4)31-38(61)50-32(20(5)51)39(62)47-26(13-28(41)53)36(59)48-27(35(58)44-15-30(55)45-24(11-18(2)3)34(57)43-14-29(42)54)17-64-63-16-23(40)33(56)46-25(37(60)49-31)12-21-7-9-22(52)10-8-21/h7-10,18-20,23-27,31-32,51-52H,6,11-17,40H2,1-5H3,(H2,41,53)(H2,42,54)(H,43,57)(H,44,58)(H,45,55)(H,46,56)(H,47,62)(H,48,59)(H,49,60)(H,50,61)/f/h43-50H,41-42H2

InChIKey: InChIKey=XQAKKLKDUOWUIU-KTZCKHGFCC
SMILES: CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)NCC(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)C(C)O

Names:
    19-amino-13-butan-2-yl-7-(carbamoylmethyl)-N-[[1-(carbamoylmethylcarbamoyl)-3-methyl-butyl]carbamoylmethyl]-10-(1-hydroxyethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide

Registries:
    PubChem CID 3563639
    PubChem ID 4823968