Name: MAL3-101
Rating: 5 (10 reviews)

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HIT ID:HIT212710792
Cas No:831217-40-4
常用名:MAL3-101
别名:MAL3 101
IUPAC:benzyl 4-{[1,1'-biphenyl]-4-yl}-1-(5-{[(butylcarbamoyl)[4-(2-methoxy-2-oxoethoxy)-3-(methoxycarbonyl)phenyl]methyl](hexyl)carbamoyl}pentyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
IUPAC:benzyl 4-{[1,1'-biphenyl]-4-yl}-1-(5-{[(butylcarbamoyl)[4-(2-methoxy-2-oxoethoxy)-3-(methoxycarbonyl)phenyl]methyl](hexyl)carbamoyl}pentyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
InChI key:LDECUSDQMXVUMP-UHFFFAOYSA-N

分子式:C54H66N4O10
分子量:931.14
氢键供体数 (HBD):2
氢键受体数 (HBA):7
LogP:8.849837
SMILES:CCCCCCN(C(C(=O)NCCCC)c1ccc(OCC(=O)OC)c(c1)C(=O)OC)C(=O)CCCCCN1C(=O)NC(C(C(=O)OCc2ccccc2)=C1C)c1ccc(cc1)-c1ccccc1 |c:55|
SMILES:CCCCCCN(C(C(=O)NCCCC)c1ccc(OCC(=O)OC)c(c1)C(=O)OC)C(=O)CCCCCN1C(=O)NC(C(C(=O)OCc2ccccc2)=C1C)c1ccc(cc1)-c1ccccc1 |c:55|

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