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

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212667622
Cas No:
常用名:DBCO-Val-Cit-OH
IUPAC:(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)pentanoic acid
IUPAC:(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)pentanoic acid
InChI key:IMBGHUHYLUKXPQ-ABYGYWHVSA-N

分子式:C32H39N5O6
分子量:589.693
氢键供体数 (HBD):5
氢键受体数 (HBA):6
LogP:2.384608
SMILES:CC(C)[C@@H](NC(=O)CCCCC(=O)N1Cc2ccccc2C#Cc2ccccc12)C(=O)N[C@@H](CCCNC(N)=O)C(O)=O
SMILES:CC(C)[C@@H](NC(=O)CCCCC(=O)N1Cc2ccccc2C#Cc2ccccc12)C(=O)N[C@@H](CCCNC(N)=O)C(O)=O

DBCO-Val-Cit-OH, a cleavable linker compound, finds utility in the synthesis of antibody-drug conjugates (ADCs)[1].

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