Name: Ac-DMQD-AMC
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HIT ID:HIT218639391
Cas No:355137-38-1
Common Name:Ac-DMQD-AMC
IUPAC:(3S)-3-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-2-carboxy-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]ethyl]carbamoyl}propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-3-acetamidopropanoic acid
IUPAC:(3S)-3-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-2-carboxy-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]ethyl]carbamoyl}propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-3-acetamidopropanoic acid
InChI key:QJFJTAOSTJMQCI-TUFLPTIASA-N

Molecular Formula:C30H38N6O12S
Molecular Weight:706.72
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1
SMILES:CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1

Ac-DMQD-AMC, an inhibitor of caspase-3, is an aromatic amine synthesized using the aminium-based coupling reagent HATU in the presence of 2,4,6-trimethylpyridine (TMP) [1].

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