III-63 HYDRATE_Chemical Cloud Database

III-63 HYDRATE

Basic Information
Product Name：	III-63 HYDRATE
English Synonyms：	III-63 HYDRATE ; WPE-III-63 HYDRATE
MDL Number.：	MFCD16876399
H bond acceptor：	17
H bond donor：	8
Smile：	CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)C(=O)c2ccccc2)C(=O)NCCCCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)NC(=O)N(Cc5ccccc5)C[C@H]([C@H](Cc6ccccc6)NC(=O)OC(C)(C)C)O
InChi：	InChI=1S/C60H80N8O9S/c1-40(2)34-47(65-58(75)68(37-43-22-12-7-13-23-43)38-50(69)46(35-41-20-10-6-11-21-41)66-59(76)77-60(3,4)5)56(73)63-48(36-42-28-30-45(31-29-42)54(71)44-24-14-8-15-25-44)55(72)62-33-19-9-18-32-61-52(70)27-17-16-26-51-53-49(39-78-51)64-57(74)67-53/h6-8,10-15,20-25,28-31,40,46-51,53,69H,9,16-19,26-27,32-39H2,1-5H3,(H,61,70)(H,62,72)(H,63,73)(H,65,75)(H,66,76)(H2,64,67,74)/t46-,47-,48-,49-,50+,51-,53-/m0/s1
InChiKey：	InChIKey=LXSSRSLMLQIWNX-DJZUSUHUSA-N

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