Molecules/Labetuzumab Govitecan

Labetuzumab Govitecan

(2R)-2-amino-3-[1-[[4-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[2-[[(2S)-5-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-oxopentan-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

C75H102N12O24S1587.70 g/molCID 91668184

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Molecular Identity

Labetuzumab Govitecan

PubChem CID: 91668184

2D Structure

Properties

C₇₅H₁₀₂N₁₂O₂₄S

Molecular Formula

1587.70

Molecular Weight

g/mol

1586.6851

Exact Mass

-3.6

XLogP

Drug-like (Lipinski: < 5)

497

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

3130

Complexity

SMILES

Canonical SMILES

SMILES: CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)OC(=O)OCC5=CC=C(C=C5)NC(=O)C(CCCN)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCN6C=C(N=N6)CNC(=O)C7CCC(CC7)CN8C(=O)CC(C8=O)SCC(C(=O)O)N)C2=NC9=C1C=C(C=C9)O

Isomeric SMILES

SMILES: CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)OC(=O)OCC5=CC=C(C=C5)NC(=O)[C@H](CCCN)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

Synonyms(20)

Labetuzumab govitecan1469876-18-3hMN14-SN38IMMU 1308E3HI6QQ9JAnti-ceacam5-sn 38labetuzumabum govitecanumRefChem:798341ADC IMMU-130IMMU-130Antibody-Drug Conjugate IMMU-130Labetuzumab-SN-38 Immunoconjugate IMMU-130Labetuzumab-SN38UNII-8E3HI6QQ9JLabetuzumab govitecan [USAN]

Data from PubChem (NCBI)

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Molecular Structure

Labetuzumab Govitecan

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Source: PubChem

Drug Network

Trials and conditions connected to Labetuzumab Govitecan

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