DAKLI ,118428-10-7 _ChemCD

DAKLI

basic_info
Product_Name：	DAKLI
CAS：	118428-10-7
EnglishSynonyms：	DAKLI
pro_mdlNumber：	MFCD00079865
pro_acceptors：	46
pro_donors：	31
pro_smile：	CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCCCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc3ccc(cc3)O)N
InChi：	InChI=1S/C82H141N31O15/c1-7-49(6)66(76(127)109-58(26-18-38-100-82(93)94)77(128)113-39-19-27-62(113)75(126)108-56(24-16-36-98-80(89)90)70(121)110-59(40-47(2)3)72(123)105-54(22-14-34-96-78(85)86)68(119)103-44-63(115)95-33-13-9-12-32-83)112-71(122)57(25-17-37-99-81(91)92)106-69(120)55(23-15-35-97-79(87)88)107-73(124)60(41-48(4)5)111-74(125)61(43-50-20-10-8-11-21-50)104-65(117)46-101-64(116)45-102-67(118)53(84)42-51-28-30-52(114)31-29-51/h8,10-11,20-21,28-31,47-49,53-62,66,114H,7,9,12-19,22-27,32-46,83-84H2,1-6H3,(H,95,115)(H,101,116)(H,102,118)(H,103,119)(H,104,117)(H,105,123)(H,106,120)(H,107,124)(H,108,126)(H,109,127)(H,110,121)(H,111,125)(H,112,122)(H4,85,86,96)(H4,87,88,97)(H4,89,90,98)(H4,91,92,99)(H4,93,94,100)/t49-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,66-/m0/s1
InChiKey：	InChIKey=NRKAXRPJAIWSGY-QMWNISMASA-N

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