CANCIDAS ,179463-17-3 _Chemical Cloud Database

CANCIDAS

Basic Information
Product Name：	CANCIDAS
CAS：	179463-17-3
English Synonyms：	CANCIDAS ACETATE ; 1-[(4R,5S)-5-[(2-AMINOETHYL)AMINO]-N2-(10,12-DIMETHYL-1-OXOTETRADECYL)-4-HYDROXY-L-ORNITHINE]-5-[(3R)-3-HYDROXY-L-ORNITHINE]-PNEUMOCANDIN B0 DIACETATE ; L 743873 ACETATE ; CASPOFUNGIN ACETATE ; CASPOFUNGIN DIACETATE ; L 743872 ACETATE ; MK 0991 ACETATE ; CANCIDAS
MDL Number.：	MFCD08141839
H bond acceptor：	25
H bond donor：	16
Smile：	CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](c4ccc(cc4)O)O)O)[C@@H](CCN)O)O)NCCN)O.CC(=O)O.CC(=O)O
InChi：	InChI=1S/C52H88N10O15.2C2H4O2/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72;21-2(3)4/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75);21H3,(H,3,4)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,46+;;/m1../s1
InChiKey：	InChIKey=OGUJBRYAAJYXQP-LLXMLGLCSA-N
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