Name: DBCO-Val-Cit-PABC-PNP
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212667624
Cas No:
常用名:DBCO-Val-Cit-PABC-PNP
IUPAC:{4-[(2S)-2-[(2R)-2-(6-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-6-oxohexanamido)-3-methylbutanamido]-5-(carbamoylamino)pentanamido]phenyl}methyl 4-nitrophenyl carbonate
IUPAC:{4-[(2S)-2-[(2R)-2-(6-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-6-oxohexanamido)-3-methylbutanamido]-5-(carbamoylamino)pentanamido]phenyl}methyl 4-nitrophenyl carbonate
InChI key:RJGJTFMRBABKDS-VZZHGAMSSA-N

分子式:C46H49N7O10
分子量:859.937
氢键供体数 (HBD):5
氢键受体数 (HBA):9
LogP:5.7099195
SMILES:CC(C)[C@@H](NC(=O)CCCCC(=O)N1Cc2ccccc2C#Cc2ccccc12)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc(cc2)[N+]([O-])=O)cc1
SMILES:CC(C)[C@@H](NC(=O)CCCCC(=O)N1Cc2ccccc2C#Cc2ccccc12)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc(cc2)[N+]([O-])=O)cc1

DBCO-Val-Cit-PABC-PNP is a cleavable linker for antibody-drug conjugate (ADC) synthesis[1].

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