InChI=1/C35H38N2O2/c1-22-13-19-28(23(2)21-22)33(34(39)36-35(3,4)5)37(6)30(38)12-8-9-24-14-15-27-17-16-25-10-7-11-26-18-20-29(24)32(27)31(25)26/h7,10-11,13-21,33H,8-9,12H2,1-6H3,(H,36,39)

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Inherent Properties, Identifiers and References

Systematic Name:

N-[2-(tert-butylamino)-1-(2,4-dimethylphenyl)-2-oxo-ethyl]-N-methyl-4-pyren-1-yl-butanamide

SMILES:

CC(C)(C)NC(=O)C(N(C)C(=O)CCCc4ccc3ccc2cccc1ccc4c3c12)c5ccc(C)cc5C

InChI:

InChIKey:

ROCINQRRRJMEQM-UHFFFAOYAT

Std. InChI:

Std. InChIKey:

ROCINQRRRJMEQM-UHFFFAOYSA-N

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Supplemental Information

Description

Ugi product potential falcipain-2 inhibitor

Links & References

Falcipain-2 docking result

User Data

Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

1-pyrenebutanamide, N-[2-[(1,1-dimethylethyl)amino]-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-methyl-

N-[2-(tert-butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-methyl-4-(pyren-1-yl)butanamide

ACD/Labs Predicted Properties