CASPOFUNGIN ,162808-62-0 _Chemical Cloud Database

CASPOFUNGIN

Basic Information
Product Name：	CASPOFUNGIN
CAS：	162808-62-0
English Synonyms：	CASPOFUNGIN ; 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
MDL Number.：	MFCD09837756
H bond acceptor：	24
H bond donor：	15
Smile：	CCC(C)CC(C)CCCCCCCCC(=O)CC1C[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
InChi：	InChI=1S/C53H89N9O15/c1-5-29(2)24-30(3)12-10-8-6-7-9-11-13-35(65)25-33-26-40(69)47(56-22-21-55)60-51(75)44-39(68)19-23-61(44)53(77)42(38(67)18-20-54)58-50(74)43(46(71)45(70)32-14-16-34(64)17-15-32)59-49(73)37-27-36(66)28-62(37)52(76)41(31(4)63)57-48(33)72/h14-17,29-31,33,36-47,56,63-64,66-71H,5-13,18-28,54-55H2,1-4H3,(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t29?,30?,31-,33?,36-,37+,38-,39+,40-,41+,42+,43+,44+,45+,46+,47-/m1/s1
InChiKey：	InChIKey=YYVNXPANLUFPHU-ALIAMPEKSA-N

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