Name: Boc-NH-PEG3-C2-triazole-DBCO-PEG4-VC-PAB-DMEA
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HIT ID:HIT212667503
Cas No:
常用名:Boc-NH-PEG3-C2-triazole-DBCO-PEG4-VC-PAB-DMEA
常用名:Boc-NH-PEG3-C2-triazole-DBCO-PEG4-VC-PAB-DMEA
IUPAC:tert-butyl N-(2-{2-[2-(2-{13-[3-(1-{[(1S)-1-{[(1S)-4-(carbamoylamino)-1-({4-[({methyl[2-(methylamino)ethyl]carbamoyl}oxy)methyl]phenyl}carbamoyl)butyl]carbamoyl}-2-methylpropyl]carbamoyl}-3,6,9,12-tetraoxapentadecan-15-amido)propanoyl]-3,4,5,13-tetraazatetracyclo[13.4.0.0^{2,6}.0^{7,12}]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-5-yl}ethoxy)ethoxy]ethoxy}ethyl)carbamate
IUPAC:tert-butyl N-(2-{2-[2-(2-{13-[3-(1-{[(1S)-1-{[(1S)-4-(carbamoylamino)-1-({4-[({methyl[2-(methylamino)ethyl]carbamoyl}oxy)methyl]phenyl}carbamoyl)butyl]carbamoyl}-2-methylpropyl]carbamoyl}-3,6,9,12-tetraoxapentadecan-15-amido)propanoyl]-3,4,5,13-tetraazatetracyclo[13.4.0.0^{2,6}.0^{7,12}]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-5-yl}ethoxy)ethoxy]ethoxy}ethyl)carbamate
InChI key:JYTHRLPETJLRBH-SRSCFSCASA-N

分子式:C66H99N13O17
分子量:1346.592
氢键供体数 (HBD):8
氢键受体数 (HBA):18
LogP:1.3771828
SMILES:CNCCN(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCC(=O)NCCC(=O)N2Cc3ccccc3-c3nnn(CCOCCOCCOCCNC(=O)OC(C)(C)C)c3-c3ccccc23)C(C)C)cc1
SMILES:CNCCN(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCC(=O)NCCC(=O)N2Cc3ccccc3-c3nnn(CCOCCOCCOCCNC(=O)OC(C)(C)C)c3-c3ccccc23)C(C)C)cc1

Boc-NH-PEG3-C2-triazole-DBCO-PEG4-VC-PAB-DMEA is a double-cleavable PEG linker (3-unit and 4-unit) designed for antibody-drug conjugation (ADC).

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