Rova-t
(2R)-3-[(3R)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-2-aminopropanoic acid
Molecular Identity
Rova-t
(2R)-3-[(3R)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-2-aminopropanoic acid
PubChem CID: 131954443
2D Structure
Properties
C78H108N10O25S
Molecular Formula
1617.80
Molecular Weight
g/mol
1616.7208
Exact Mass
Da
-1.6
XLogP
Drug-like (Lipinski: < 5)
456
TPSA
May have limited oral absorption
7
H-Bond Donors
28
H-Bond Acceptors
3190
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(18)
Rova-tRovalpituzumab TesirineP256HB60FFSC00021613313-09-9Rovalpituzumab tesirinarovalpituzumabum tesirinumRefChem:883869SC16LD6.5-ADCSC16LD6.5SC-16LD6.5UNII-P256HB60FFRovalpituzumab tesirine [INN]Rovalpituzumab tesirine [WHO-DD]Rovalpituzumab tesirine [USAN:INN]
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Rova-t
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