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CHEBI:760312 - etimupepimut

Default Structure
ChEBI IDCHEBI:760312
ChEBI Nameetimupepimut
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC111H162N24O27S
Net Charge0
Average Mass2296.725
Monoisotopic Mass2295.17620
SMILESCSCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O
InChIInChI=1S/C111H162N24O27S/c1-56(2)43-76(123-102(152)81(50-69-54-115-55-117-69)125-101(151)80(49-68-53-116-73-32-23-22-31-71(68)73)124-100(150)78(48-67-35-37-70(139)38-36-67)128-107(157)90(62(12)136)132-96(146)75(39-42-163-15)119-94(144)72(113)46-65-27-18-16-19-28-65)98(148)122-77(44-57(3)4)99(149)126-82(51-86(114)140)97(147)118-61(11)93(143)121-79(47-66-29-20-17-21-30-66)104(154)133-91(63(13)137)108(158)130-88(59(7)8)106(156)134-92(64(14)138)109(159)131-89(60(9)10)110(160)135-41-26-34-85(135)105(155)120-74(33-24-25-40-112)95(145)127-83(52-87(141)142)103(153)129-84(111(161)162)45-58(5)6/h16-23,27-32,35-38,53-64,72,74-85,88-92,116,136-139H,24-26,33-34,39-52,112-113H2,1-15H3,(H2,114,140)(H,115,117)(H,118,147)(H,119,144)(H,120,155)(H,121,143)(H,122,148)(H,123,152)(H,124,150)(H,125,151)(H,126,149)(H,127,145)(H,128,157)(H,129,153)(H,130,158)(H,131,159)(H,132,146)(H,133,154)(H,134,156)(H,141,142)(H,161,162)/t61-,62+,63+,64+,72-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,88-,89-,90-,91-,92-/m0/s1
InChIKeySFHKDFCCPYKRKM-XRHWNUEBSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
etimupepimut (CHEBI:760312) has role antineoplastic agent (CHEBI:35610)
etimupepimut (CHEBI:760312) is a polypeptide (CHEBI:15841)
Synonyms  Source
EtimupepimutChEMBL
I0103ChEMBL
Io103ChEMBL