Name: Mca-AVLQSGFR-K(Dnp)-K-NH2 TFA
Rating: 5 (10 reviews)

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HIT ID:HIT220921697
Cas No:
常用名:Mca-AVLQSGFR-K(Dnp)-K-NH2 TFA
IUPAC:(2S)-N-[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}-5-[(2,4-dinitrophenyl)amino]pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]-2-[(2S)-2-[(2S)-2-[(2S)-2-[2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetamido]propanamido]-3-methylbutanamido]-4-methylpentanamido]pentanediamide; trifluoroacetic acid
IUPAC:(2S)-N-[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}-5-[(2,4-dinitrophenyl)amino]pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]-2-[(2S)-2-[(2S)-2-[(2S)-2-[2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetamido]propanamido]-3-methylbutanamido]-4-methylpentanamido]pentanediamide; trifluoroacetic acid
InChI key:InChIKey=CGCVIXNKWNLLJP-OUHUHHCFSA-N

分子式:C71H100F3N19O22
分子量:1628.687
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)C(F)(F)F.COc1ccc2c(CC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCNc3ccc(cc3[N+]([O-])=O)[N+]([O-])=O)C(=O)N[C@@H](CCCCN)C(N)=O)cc(=O)oc2c1
SMILES:OC(=O)C(F)(F)F.COc1ccc2c(CC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCNc3ccc(cc3[N+]([O-])=O)[N+]([O-])=O)C(=O)N[C@@H](CCCCN)C(N)=O)cc(=O)oc2c1

Mca-AVLQSGFR-K(Dnp)-K-NH2 是针对严重急性呼吸综合征冠状病毒(SARS-CoV)主蛋白酶(Mpro)，也称为3C样蛋白酶(3CLpro)的荧光底物。SARS-CoV Mpro 切割后，会释放7-甲氧基香豆素-4-乙酰基(Mca)，通过其荧光可以量化SARS-CoV Mpro 活性。Mca 的激发/发射波长最大值分别为328/420 nm。

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