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CHEBI:125587 - LSM-37129

ChEBI IDCHEBI:125587
ChEBI NameLSM-37129
Stars
DownloadsMolfile
FormulaC94H163N37O22S
Net Charge0
Average Mass2195.642
Monoisotopic Mass2194.24941
SMILESCC[C@H](C)[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](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CCNC(C)=O)C(=O)N[C@]1(C)CCCC=CCCC[C@](C)(C(=O)N[C@@H](Cc2cncn2)C(=O)N[C@@H](Cc2cncn2)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC1=O
InChIInChI=1S/C94H163N37O22S/c1-11-51(6)70(128-77(143)59(26-21-36-112-91(102)103)119-73(139)56(23-18-33-109-88(96)97)117-74(140)57(24-19-34-110-89(98)99)120-78(144)62(39-49(2)3)122-75(141)58(25-20-35-111-90(100)101)118-76(142)61(28-29-69(136)137)116-68(135)30-38-108-53(8)134)85(151)131-94(10)32-17-15-13-12-14-16-31-93(9,130-84(150)60(27-22-37-113-92(104)105)121-83(149)67(46-154)125-79(145)63(40-50(4)5)126-87(94)153)86(152)127-65(42-55-44-107-48-115-55)81(147)123-64(41-54-43-106-47-114-54)80(146)124-66(45-132)82(148)129-71(52(7)133)72(95)138/h12-13,43-44,47-52,56-67,70-71,132-133,154H,11,14-42,45-46H2,1-10H3,(H2,95,138)(H,106,114)(H,107,115)(H,108,134)(H,116,135)(H,117,140)(H,118,142)(H,119,139)(H,120,144)(H,121,149)(H,122,141)(H,123,147)(H,124,146)(H,125,145)(H,126,153)(H,127,152)(H,128,143)(H,129,148)(H,130,150)(H,131,151)(H,136,137)(H4,96,97,109)(H4,98,99,110)(H4,100,101,111)(H4,102,103,112)(H4,104,105,113)/t51-,52+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,70-,71-,93+,94+/m0/s1
InChIKeyOQHLPAAWWGDXAW-XRJPSZMISA-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-37129 (CHEBI:125587) is a polypeptide (CHEBI:15841)
Manual XrefsDatabases
LSM-37129LINCS