Viewing Compound With Structures

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Compound Report Overview

Compound Name: N-ACETYL-L-TRYPTOPHAN 3,5-BIS(TRIFLUOROMETHYL)BENZYL ESTER
Compound Identifier: 700532
Mol Structure 2D: 700532
Molecular Weight: 472
Formula: C22 H18 F6 N2 O3
Development Status: Preclinical
SMILES: CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OCc3cc(cc(c3)C(F)(F)F)C(F)(F)F
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222172D 0 0.00000 0.00000 0^^ 33 35 0 1 0 999 V2000^ -0.4833 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4042 2.6708 0.0000 C 0 0 3 0 0 0 0 0 0^ -0.3708 2.7750 0.0000 C 0 0 3 0 0 0 0 0 0^ 0.8667 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.7000 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3167 2.3583 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3042 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3875 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1000 0.0250 0.0000 C 0 0 2 0 0 0 0 0 0^ -0.3875 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0958 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7833 0.4375 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.0042 2.7458 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3917 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.4833 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2500 -0.0917 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.3250 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7000 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0042 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3875 1.3000 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.4833 -0.7292 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.0792 2.2333 0.0000 F 0 0 0 0 0 0 0 0 0^ 2.6292 3.4833 0.0000 F 0 0 0 0 0 0 0 0 0^ 2.1417 3.4583 0.0000 F 0 0 0 0 0 0 0 0 0^ -1.0833 2.3958 0.0000 F 0 0 0 0 0 0 0 0 0^ -0.5958 3.4833 0.0000 F 0 0 0 0 0 0 0 0 0^ -0.1333 3.5000 0.0000 F 0 0 0 0 0 0 0 0 0^ 1.0042 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9500 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.1458 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6042 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7583 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0417 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 5 1 0 0 0^ 3 6 1 0 0 0^ 4 7 1 0 0 0^ 5 18 2 0 0 0^ 6 17 1 0 0 0^ 7 1 2 0 0 0^ 8 9 1 0 0 0^ 9 11 1 0 0 0^ 10 1 1 0 0 0^ 11 1 1 0 0 0^ 9 12 1 6 0 0^ 13 5 1 0 0 0^ 14 10 2 0 0 0^ 15 12 1 0 0 0^ 16 8 1 0 0 0^ 17 19 2 0 0 0^ 18 19 1 0 0 0^ 19 28 1 0 0 0^ 20 8 2 0 0 0^ 21 15 2 0 0 0^ 22 2 1 0 0 0^ 23 2 1 0 0 0^ 24 2 1 0 0 0^ 25 3 1 0 0 0^ 26 3 1 0 0 0^ 27 3 1 0 0 0^ 28 16 1 0 0 0^ 29 10 1 0 0 0^ 30 15 1 0 0 0^ 31 14 1 0 0 0^ 32 29 2 0 0 0^ 33 32 1 0 0 0^ 4 14 1 0 0 0^ 33 31 2 0 0 0^ 13 6 2 0 0 0^M END^^
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