nchembio803-comp11
Molecular Formula:
C46H54N12O12S2
InChI: InChI=1/C46H54N12O12S2/c1-21(2)35-45(67)69-17-31(53-39(61)29-15-47-25-11-7-9-13-27(25)51-29)41(63)49-24(6)38(60)56-34-20-72-71-19-33(43(65)57-35)55-37(59)23(5)50-42(64)32(18-70-46(68)36(22(3)4)58-44(34)66)54-40(62)30-16-48-26-12-8-10-14-28(26)52-30/h7-16,21-24,31-36H,17-20H2,1-6H3,(H,49,63)(H,50,64)(H,53,61)(H,54,62)(H,55,59)(H,56,60)(H,57,65)(H,58,66)/t23-,24-,31+,32+,33-,34-,35-,36-/m0/s1/f/h49-50,53-58H
InChIKey: InChIKey=LKLFQBAVCYTITN-UPARISLTDI
SMILES: CC1C(=O)NC2CSSCC(C(=O)NC(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)NC(=O)C(NC(=O)C(COC(=O)C(NC2=O)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C
Names:
nchembio803-comp11
N-[(1S,4S,8R,11S,14S,17S,21R,24S)-11,24-dimethyl-2,5,9,12,15,18,22,25-octaoxo-4,17-dipropan-2-yl-8-(quinoxaline-2-carbonylamino)-6,19-dioxa-28,29-dithia-3,10,13,16,23,26-hexazabicyclo[12.12.4]triacont-21-yl]quinoxaline-2-carboxamide
Registries:
PubChem CID 6857740
PubChem ID 11534327
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