Name: Mal-PEG4-Val-Cit-PAB-PNP
Rating: 5 (10 reviews)

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HIT ID:HIT212669006
Cas No:2112738-09-5
常用名:Mal-PEG4-Val-Cit-PAB-PNP
IUPAC:{4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[1-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3,6,9,12-tetraoxapentadecan-15-amido]-3-methylbutanamido]pentanamido]phenyl}methyl 4-nitrophenyl carbonate
IUPAC:{4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[1-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3,6,9,12-tetraoxapentadecan-15-amido]-3-methylbutanamido]pentanamido]phenyl}methyl 4-nitrophenyl carbonate
InChI key:ZEPYLTPLLQQBNX-IKYOIFQTSA-N

分子式:C40H53N7O15
分子量:871.898
氢键供体数 (HBD):5
氢键受体数 (HBA):14
LogP:1.1634674
SMILES:CC(C)[C@H](NC(=O)CCOCCOCCOCCOCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc(cc2)[N+]([O-])=O)cc1 |c:24|
SMILES:CC(C)[C@H](NC(=O)CCOCCOCCOCCOCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc(cc2)[N+]([O-])=O)cc1 |c:24|

Mal-PEG4-Val-Cit-PAB-PNP is a cleavable 4-unit polyethylene glycol (PEG) linker employed in the synthesis of antibody-drug conjugates (ADCs)[1].

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