Molecules/Rovalpituzumab Tesirine

Rovalpituzumab Tesirine

(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

C78H108N10O25S1617.80 g/molCID 131954443

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Molecular Identity

Rovalpituzumab Tesirine

PubChem CID: 131954443

2D Structure

Properties

C₇₈H₁₀₈N₁₀O₂₅S

Molecular Formula

1617.80

Molecular Weight

g/mol

1616.7208

Exact Mass

-1.6

XLogP

Drug-like (Lipinski: < 5)

456

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

3190

Complexity

SMILES

Canonical SMILES

SMILES: CC1=CN2C(C1)C=NC3=CC(=C(C=C3C2=O)OC)OCCCCCOC4=C(C=C5C(=C4)N(C(C6CC(=CN6C5=O)C)O)C(=O)OCC7=CC=C(C=C7)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN8C(=O)CC(C8=O)SCC(C(=O)O)N)OC

Isomeric SMILES

SMILES: CC1=CN2[C@@H](C1)C=NC3=CC(=C(C=C3C2=O)OC)OCCCCCOC4=C(C=C5C(=C4)N([C@H]([C@@H]6CC(=CN6C5=O)C)O)C(=O)OCC7=CC=C(C=C7)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN8C(=O)C[C@H](C8=O)SC[C@@H](C(=O)O)N)OC

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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Molecular Structure

Rovalpituzumab Tesirine

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Source: PubChem

Drug Network

Trials and conditions connected to Rovalpituzumab Tesirine

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