Vadastuximab Talirine
(2R)-3-[(3R)-1-[6-[[(2S)-1-[[(2S)-1-[4-[(6aS)-3-[3-[[(6aS)-2-methoxy-8-(4-methoxyphenyl)-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-2-aminopropanoic acid
Molecular Identity
Vadastuximab Talirine
(2R)-3-[(3R)-1-[6-[[(2S)-1-[[(2S)-1-[4-[(6aS)-3-[3-[[(6aS)-2-methoxy-8-(4-methoxyphenyl)-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-2-aminopropanoic acid
PubChem CID: 122706909
2D Structure
Properties
C63H71N9O14S
Molecular Formula
1210.40
Molecular Weight
g/mol
1209.4841
Exact Mass
Da
1.3
XLogP
Drug-like (Lipinski: < 5)
325
TPSA
May have limited oral absorption
5
H-Bond Donors
18
H-Bond Acceptors
2600
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C(C(=O)NC(C)C(=O)NC1=CC=C(C=C1)C2=CN3C(C2)C=NC4=CC(=C(C=C4C3=O)OC)OCCCOC5=C(C=C6C(=C5)N=CC7CC(=CN7C6=O)C8=CC=C(C=C8)OC)OC)NC(=O)CCCCCN9C(=O)CC(C9=O)SCC(C(=O)O)NIsomeric SMILES
SMILES: C[C@@H](C(=O)NC1=CC=C(C=C1)C2=CN3[C@@H](C2)C=NC4=CC(=C(C=C4C3=O)OC)OCCCOC5=C(C=C6C(=C5)N=C[C@@H]7CC(=CN7C6=O)C8=CC=C(C=C8)OC)OC)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN9C(=O)C[C@H](C9=O)SC[C@@H](C(=O)O)NSynonyms(15)
vadastuximab talirineSGNCD33ASGN-CD33AT13V17U4311436390-64-5Vadastuximab talirinavadastuximabum talirinumRefChem:901564Vadastuximab talirine [INN]Vadastuximab talirine [USAN]UNII-T13V17U431Vadastuximab talirine [WHO-DD]Vadastuximab talirine [USAN:INN:WHO-DD]SCHEMBL29821315DA-68518
Data from PubChem (NCBI)
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Trials and conditions connected to Vadastuximab Talirine
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