Structure via PubChem · Public domain (PubChem)
sacituzumab govitecan
Sign in to saveAlso known as sacituzumab, Trodelvy, hRS7-SN-38
antibody-drug conjugate
Chemical data
- Formula
- C76H104N12O24S
- Molecular weight
- 1601.8 g/mol
- IUPAC name
- (2R)-2-amino-3-[1-[[4-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[2-[[(2S)-6-amino-1-[4-[[(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyloxymethyl]anilino]-1-oxohexan-2-yl]amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylcarbamoyl]cyclohexyl]methyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid
- SMILES
- CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)OC(=O)OCC5=CC=C(C=C5)NC(=O)[C@H](CCCCN)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCN6C=C(N=N6)CNC(=O)C7CCC(CC7)CN8C(=O)CC(C8=O)SC[C@@H](C(=O)O)N)C2=NC9=C1C=C(C=C9)O
- InChIKey
- ULRUOUDIQPERIJ-PQURJYPBSA-N
- XLogP
- -3.3
- Polar surface area
- 497 Ų
- H-bond donors
- 8
- H-bond acceptors
- 30
- Formal charge
- 0
via PubChem
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 1600.7007132079993
- Has use
- medication
Show 6 more facts
- Commons category
- Sacituzumab govitecan
- subject has role
- monoclonal antibody
- legal status (medicine)
- boxed warning
- isomeric SMILES
- CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(CC)OC(=O)OCc1ccc(NC(=O)[C@H](CCCCN)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCn2cc(CNC(=O)C3CCC(CN4C(=O)CC(SC[C@H](N)C(=O)O)C4=O)CC3)nn2)cc1
- chemical formula
- C₇₆H₁₀₄N₁₂O₂₄S
- canonical SMILES
- CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(CC)OC(=O)OCc1ccc(NC(=O)C(CCCCN)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCn2cc(CNC(=O)C3CCC(CN4C(=O)CC(SCC(N)C(=O)O)C4=O)CC3)nn2)cc1
Sources (1)
via Wikidata · CC0