TCS 184_ChemCD

TCS 184

basic_info
Product_Name：	TCS 184
EnglishSynonyms：	TCS 184
pro_mdlNumber：	MFCD09038555
pro_acceptors：	40
pro_donors：	25
pro_smile：	C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)N)O
InChi：	InChI=1S/C58H96N20O20S/c1-28(68-54(96)43(59)29(2)82)46(88)71-33(16-17-42(85)86)48(90)75-39(27-81)52(94)77-44(30(3)83)55(97)74-36(23-31-11-6-5-7-12-31)50(92)72-34(18-22-99-4)49(91)73-35(14-9-20-66-58(63)64)56(98)78-21-10-15-40(78)53(95)76-37(25-79)47(89)67-24-41(84)69-38(26-80)51(93)70-32(45(60)87)13-8-19-65-57(61)62/h5-7,11-12,28-30,32-40,43-44,79-83H,8-10,13-27,59H2,1-4H3,(H2,60,87)(H,67,89)(H,68,96)(H,69,84)(H,70,93)(H,71,88)(H,72,92)(H,73,91)(H,74,97)(H,75,90)(H,76,95)(H,77,94)(H,85,86)(H4,61,62,65)(H4,63,64,66)/t28-,29+,30+,32-,33-,34-,35-,36-,37-,38-,39-,40-,43-,44-/m0/s1
InChiKey：	InChIKey=NDIVCCNTIKREGG-BOGMMOMNSA-N

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