ECHINOCANDIN B ,54651-05-7 _Chemical Cloud Database

ECHINOCANDIN B

Basic Information
Product Name：	ECHINOCANDIN B
CAS：	54651-05-7 ;79411-15-7
English Synonyms：	ECHINOCANDIN B
MDL Number.：	MFCD03265632
H bond acceptor：	23
H bond donor：	14
Smile：	CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H]([C@H](CN2C(=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](Cc4ccc(cc4)O)O)O)[C@@H](C)O)C)O)O)O
InChi：	InChI=1S/C53H83N7O16/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-40(67)54-36-27-39(66)49(72)58-51(74)44-45(68)30(2)28-60(44)53(76)42(32(4)62)56-50(73)43(46(69)38(65)25-33-21-23-34(63)24-22-33)57-48(71)37-26-35(64)29-59(37)52(75)41(31(3)61)55-47(36)70/h9-10,12-13,21-24,30-32,35-39,41-46,49,61-66,68-69,72H,5-8,11,14-20,25-29H2,1-4H3,(H,54,67)(H,55,70)(H,56,73)(H,57,71)(H,58,74)/b10-9-,13-12-/t30-,31+,32+,35+,36-,37-,38-,39+,41-,42-,43-,44-,45-,46+,49+/m0/s1
InChiKey：	InChIKey=ZVONTJDTHCOYNA-RQJGPDBVSA-N

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