InChI=1/C38H36N2O2/c1-2-3-26-39-38(42)37(31-12-6-4-7-13-31)40(32-17-8-5-9-18-32)34(41)19-11-14-27-20-21-30-23-22-28-15-10-16-29-24-25-33(27)36(30)35(28)29/h4-10,12-13,15-18,20-25,37H,2-3,11,14,19,26H2,1H3,(H,39,42)

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Inherent Properties, Identifiers and References

Systematic Name:

N-(2-butylamino-2-oxo-1-phenyl-ethyl)-N-phenyl-4-pyren-1-yl-butanamide

SMILES:

CCCCNC(=O)C(N(C(=O)CCCc4ccc3ccc2cccc1ccc4c3c12)c5ccccc5)c6ccccc6

InChI:

InChIKey:

MBTPDUUGUUHREI-UHFFFAOYAF

Std. InChI:

Std. InChIKey:

MBTPDUUGUUHREI-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-(butylamino)-2-oxo-1-phenylethyl]-N-phenyl-

N-[2-(butylamino)-2-oxo-1-phenylethyl]-N-phenyl-4-(pyren-1-yl)butanamide

ACD/Labs Predicted Properties