QEKPYWPPPIYPM_Chemical Cloud Database

QEKPYWPPPIYPM

Basic Information
Product Name：	QEKPYWPPPIYPM
English Synonyms：	QEKPYWPPPIYPM ; TRYPTOPHYLLIN-13,PHYLLOMEDUSA ROHDEI
MDL Number.：	MFCD18252175
H bond acceptor：	35
H bond donor：	15
Smile：	CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5C(=O)[C@H](Cc6c[nH]c7c6cccc7)NC(=O)[C@H](Cc8ccc(cc8)O)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)N
InChi：	InChI=1S/C81H112N16O19S/c1-4-46(2)68(75(109)91-59(43-48-24-28-51(99)29-25-48)77(111)94-37-10-17-61(94)72(106)88-57(81(115)116)34-41-117-3)92-74(108)63-19-11-38-95(63)79(113)65-21-13-40-97(65)80(114)64-20-12-39-96(64)78(112)60(44-49-45-85-54-15-6-5-14-52(49)54)90-71(105)58(42-47-22-26-50(98)27-23-47)89-73(107)62-18-9-36-93(62)76(110)56(16-7-8-35-82)87-70(104)55(31-33-67(101)102)86-69(103)53(83)30-32-66(84)100/h5-6,14-15,22-29,45-46,53,55-65,68,85,98-99H,4,7-13,16-21,30-44,82-83H2,1-3H3,(H2,84,100)(H,86,103)(H,87,104)(H,88,106)(H,89,107)(H,90,105)(H,91,109)(H,92,108)(H,101,102)(H,115,116)/t46-,53-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,68-/m0/s1
InChiKey：	InChIKey=QIDOVJOUPATGOA-RJZVPRRHSA-N

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