N-(7-NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)PHALLACIDIN ,73413-78-2

N-(7-NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)PHALLACIDIN

Basic Information
Product Name：	N-(7-NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)PHALLACIDIN
CAS：	73413-78-2
English Synonyms：	NBD PHALLACIDIN ; N-(7-NITROBENZOFURAZAN-4-YL)PHALLACIDIN ; N-(7-NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)PHALLACIDIN
MDL Number.：	MFCD03791065
H bond acceptor：	26
H bond donor：	10
Smile：	C[C@H]1C(=O)N[C@H]2Cc3c4ccccc4[nH]c3SC[C@@H](C(=O)N5C[C@H](C[C@H]5C(=O)N1)O)N(C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC(C)(CO)O)C(C)C)[C@H](C)C(=O)O)c6ccc(c7c6non7)[N+](=O)[O-]
InChi：	InChI=1S/C44H53N11O15S/c1-18(2)31-39(62)50-32(19(3)43(65)66)42(64)54(27-10-11-28(55(68)69)34-33(27)51-70-52-34)30-16-71-40-23(22-8-6-7-9-24(22)48-40)13-25(36(59)47-26(37(60)49-31)14-44(5,67)17-56)46-35(58)20(4)45-38(61)29-12-21(57)15-53(29)41(30)63/h6-11,18-21,25-26,29-32,48,56-57,67H,12-17H2,1-5H3,(H,45,61)(H,46,58)(H,47,59)(H,49,60)(H,50,62)(H,65,66)/t19-,20-,21-,25-,26-,29-,30-,31-,32+,44?/m0/s1
InChiKey：	InChIKey=HFPJHLOQPDINRZ-ZAKSBDSSSA-N

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