Name: Mal-PEG2-VCP-NB
Rating: 5 (10 reviews)

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HIT ID:HIT212667953
Cas No:2395887-69-9
常用名:Mal-PEG2-VCP-NB
IUPAC:{4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-(3-{2-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy]ethoxy}propanamido)-3-methylbutanamido]pentanamido]phenyl}methyl 4-nitrophenyl carbonate
IUPAC:{4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-(3-{2-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy]ethoxy}propanamido)-3-methylbutanamido]pentanamido]phenyl}methyl 4-nitrophenyl carbonate
InChI key:UTNZOKGPGOHCAG-IUDBTDONSA-N

分子式:C36H45N7O13
分子量:783.792
氢键供体数 (HBD):5
氢键受体数 (HBA):12
LogP:1.2574184
SMILES:CC(C)[C@H](NC(=O)CCOCCOCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc(cc2)[N+]([O-])=O)cc1 |c:18|
SMILES:CC(C)[C@H](NC(=O)CCOCCOCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc(cc2)[N+]([O-])=O)cc1 |c:18|

Mal-PEG2-VCP-NB is a noncleavable ADC linker comprising a Maleimide group, a 2-unit PEG, and a VCP NB.

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