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CHEBI:757734 - vedotin

Default Structure
ChEBI IDCHEBI:757734
ChEBI Namevedotin
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC68H107N11O15
Net Charge0
Average Mass1318.666
Monoisotopic Mass1317.79481
SMILES[H][C@@]1([C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c2ccccc2)CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)CCC2=O)C(C)C)cc1)C(C)C
InChIInChI=1S/C68H107N11O15/c1-15-43(8)59(51(92-13)38-55(83)78-37-23-27-50(78)61(93-14)44(9)62(85)71-45(10)60(84)47-24-18-16-19-25-47)76(11)66(89)57(41(4)5)75-65(88)58(42(6)7)77(12)68(91)94-39-46-29-31-48(32-30-46)72-63(86)49(26-22-35-70-67(69)90)73-64(87)56(40(2)3)74-52(80)28-20-17-21-36-79-53(81)33-34-54(79)82/h16,18-19,24-25,29-32,40-45,49-51,56-61,84H,15,17,20-23,26-28,33-39H2,1-14H3,(H,71,85)(H,72,86)(H,73,87)(H,74,80)(H,75,88)(H3,69,70,90)/t43-,44+,45+,49-,50-,51+,56-,57-,58-,59-,60+,61+/m0/s1
InChIKeyIEDXPSOJFSVCKU-HOKPPMCLSA-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)
vedotin (CHEBI:757734) is a peptide (CHEBI:16670)
Synonyms  Source
conjugated form of mc-vc-PAB-MMAEChEMBL
MONOMETHYL AURISTATIN EChEMBL
PAB-MMAEChEMBL
SGD-1010ChEMBL
VedotinChEMBL
Vedotin (fragment)ChEMBL