CHEBI:125634 - LSM-37192

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-37192
ChEBI ID CHEBI:125634
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C102H172N32O23S
Net Charge 0
Average Mass 2246.728
Monoisotopic Mass 2245.29938
InChI InChI=1S/C102H172N32O23S/c1-14-58(8)79(130-84(145)66(30-24-46-117-100(111)112)121-81(142)64(28-22-44-115-98(107)108)120-82(143)65(29-23-45-116-99(109)110)123-91(152)78(57(6)7)129-76(138)39-47-113-60(10)135)92(153)132-102(12)42-20-18-16-15-17-19-41-101(11,131-88(149)70(52-56(4)5)126-90(151)74-32-26-49-134(74)94(155)68(40-50-158-13)128-96(102)157)95(156)118-59(9)93(154)133-48-25-31-73(133)89(150)127-72(54-75(103)137)87(148)125-71(53-61-33-35-62(136)36-34-61)86(147)124-69(51-55(2)3)85(146)122-67(37-38-77(139)140)83(144)119-63(80(104)141)27-21-43-114-97(105)106/h15-16,33-36,55-59,63-74,78-79,136H,14,17-32,37-54H2,1-13H3,(H2,103,137)(H2,104,141)(H,113,135)(H,118,156)(H,119,144)(H,120,143)(H,121,142)(H,122,146)(H,123,152)(H,124,147)(H,125,148)(H,126,151)(H,127,150)(H,128,157)(H,129,138)(H,130,145)(H,131,149)(H,132,153)(H,139,140)(H4,105,106,114)(H4,107,108,115)(H4,109,110,116)(H4,111,112,117)/t58-,59-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,78-,79-,101+,102+/m0/s1
InChIKey PDGWCICOBAAHML-SBRCEDNMSA-N
SMILES CC[C@H](C)[C@@H](C(=O)N[C@@]1(CCCC=CCCC[C@](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC1=O)CCSC)CC(C)C)(C)C(=O)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)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(=O)N)C)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](C(C)C)NC(=O)CCNC(=O)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing LSM-37192 (CHEBI:125634) is a polypeptide (CHEBI:15841)
Manual Xref Database
LSM-37192 LINCS
View more database links