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monomethyl auristatin E

Structure via PubChem · Public domain (PubChem)

EntityQ6901739· pop 7· linked from 26 articles

monomethyl auristatin E

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Also known as monomethylauristatin E, MMAE

chemical compound

In the Vinony graph

Within Vinony's link graph, monomethyl auristatin E is referenced by 26 other articles, and connects out to Hodgkin lymphoma, brentuximab vedotin and mitotic inhibitor.

Vinony files it under Chembox image size set, ECHA InfoCard ID from Wikidata and Mitotic inhibitors.

Its subject is documented across 7 Wikipedia language editions.

Chemical data

Formula: C39H67N5O7
Molecular weight: 718 g/mol
IUPAC name: (2S)-N-[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide
SMILES: CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC
InChIKey: DASWEROEPLKSEI-UIJRFTGLSA-N
XLogP: 4.1
Polar surface area: 150 Å²
H-bond donors: 4
H-bond acceptors: 8
Formal charge: 0

via PubChem

Drug data · ChEMBL

Molecule type: Small molecule

via ChEMBL · EBI

Wikidata facts

Subclass of: chemical compound
Mass: 717.504

Show 3 more facts

chemical formula: C₃₉H₆₇N₅O₇
isomeric SMILES: CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC
canonical SMILES: CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(C2=CC=CC=C2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)NC

Sources (2)

via Wikidata · CC0

Available in 7 languages

via Wikidata sitelinks · CC0

Categories

Chembox image size set ECHA InfoCard ID from Wikidata Mitotic inhibitors