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CHEBI:125564 - LSM-37094

ChEBI IDCHEBI:125564
ChEBI NameLSM-37094
Stars
DownloadsMolfile
FormulaC102H176N32O23
Net Charge0
Average Mass2218.731
Monoisotopic Mass2217.35861
SMILESCCCC[C@@H]1NC(=O)[C@](C)(NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCNC(C)=O)C(C)C)[C@@H](C)CC)CCCC=CCCC[C@](C)(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O
InChIInChI=1S/C102H176N32O23/c1-17-19-30-68-85(146)126-71(50-55(5)6)89(150)128-72(51-56(7)8)92(153)133-101(15,95(156)119-60(13)81(142)118-59(12)82(143)125-74(53-75(103)137)91(152)129-73(52-62-35-37-63(136)38-36-62)90(151)127-70(49-54(3)4)88(149)123-69(39-40-77(139)140)86(147)120-64(80(104)141)31-26-44-114-97(105)106)42-24-22-20-21-23-25-43-102(16,96(157)130-68)134-94(155)79(58(11)18-2)132-87(148)67(34-29-47-117-100(111)112)122-83(144)65(32-27-45-115-98(107)108)121-84(145)66(33-28-46-116-99(109)110)124-93(154)78(57(9)10)131-76(138)41-48-113-61(14)135/h20-21,35-38,54-60,64-74,78-79,136H,17-19,22-34,39-53H2,1-16H3,(H2,103,137)(H2,104,141)(H,113,135)(H,118,142)(H,119,156)(H,120,147)(H,121,145)(H,122,144)(H,123,149)(H,124,154)(H,125,143)(H,126,146)(H,127,151)(H,128,150)(H,129,152)(H,130,157)(H,131,138)(H,132,148)(H,133,153)(H,134,155)(H,139,140)(H4,105,106,114)(H4,107,108,115)(H4,109,110,116)(H4,111,112,117)/t58-,59-,60-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,78-,79-,101+,102+/m0/s1
InChIKeyWIYXXSJAZGSVLH-UOFIIMQASA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
LSM-37094 (CHEBI:125564) is a polypeptide (CHEBI:15841)
Manual XrefsDatabases
LSM-37094LINCS