TRITRPTICIN ,179264-81-4 _Chemical Cloud Database

TRITRPTICIN

Basic Information
Product Name：	TRITRPTICIN
CAS：	179264-81-4
English Synonyms：	TRITRPTICIN ; H-VAL-ARG-ARG-PHE-PRO-TRP-TRP-TRP-PRO-PHE-LEU-ARG-ARG-OH
MDL Number.：	MFCD01318796
H bond acceptor：	42
H bond donor：	27
Smile：	CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](Cc5c[nH]c6c5cccc6)NC(=O)[C@H](Cc7c[nH]c8c7cccc8)NC(=O)[C@@H]9CCCN9C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)N
InChi：	InChI=1S/C96H132N28O14/c1-54(2)45-71(83(128)114-67(33-17-39-106-93(98)99)81(126)116-70(92(137)138)36-20-42-109-96(104)105)117-84(129)72(46-56-23-7-5-8-24-56)119-87(132)77-37-22-44-124(77)91(136)76(50-60-53-112-66-32-16-13-29-63(60)66)122-86(131)73(48-58-51-110-64-30-14-11-27-61(58)64)118-85(130)74(49-59-52-111-65-31-15-12-28-62(59)65)120-88(133)78-38-21-43-123(78)90(135)75(47-57-25-9-6-10-26-57)121-82(127)68(34-18-40-107-94(100)101)113-80(125)69(35-19-41-108-95(102)103)115-89(134)79(97)55(3)4/h5-16,23-32,51-55,67-79,110-112H,17-22,33-50,97H2,1-4H3,(H,113,125)(H,114,128)(H,115,134)(H,116,126)(H,117,129)(H,118,130)(H,119,132)(H,120,133)(H,121,127)(H,122,131)(H,137,138)(H4,98,99,106)(H4,100,101,107)(H4,102,103,108)(H4,104,105,109)/t67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-/m0/s1
InChiKey：	InChIKey=FTKYRNHHOBRIOY-HQUBJAAMSA-N

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