CLA-2_ChemCD

CLA-2

basic_info
Product_Name：	CLA-2
EnglishSynonyms：	CLA-2 ; CLPDSPSRQPPSPTA
pro_mdlNumber：	MFCD18252108
pro_acceptors：	42
pro_donors：	20
pro_smile：	CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)C(=O)N5CCC[C@H]5C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CS)N
InChi：	InChI=1S/C65H105N19O23S/c1-31(2)25-38(75-50(92)34(66)30-108)60(102)80-20-6-12-42(80)54(96)74-37(26-48(90)91)52(94)77-40(28-86)61(103)81-21-7-13-43(81)55(97)76-39(27-85)53(95)72-35(11-5-19-70-65(68)69)51(93)73-36(17-18-47(67)89)59(101)84-24-10-16-46(84)63(105)83-23-9-14-44(83)56(98)78-41(29-87)62(104)82-22-8-15-45(82)57(99)79-49(33(4)88)58(100)71-32(3)64(106)107/h31-46,49,85-88,108H,5-30,66H2,1-4H3,(H2,67,89)(H,71,100)(H,72,95)(H,73,93)(H,74,96)(H,75,92)(H,76,97)(H,77,94)(H,78,98)(H,79,99)(H,90,91)(H,106,107)(H4,68,69,70)/t32-,33+,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,49-/m0/s1
InChiKey：	InChIKey=IJQGAIILQXXHJZ-KWXCSNEOSA-N

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