N-[(2R,3S)-4-[[(2R)-1-hydroxypropan-2-yl]-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]-2-methoxy-3-methylbutyl]-N-methylcyclopropanecarboxamide (CHEBI:98304)

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CHEBI:98304 - N-[(2R,3S)-4-[[(2R)-1-hydroxypropan-2-yl]-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]-2-methoxy-3-methylbutyl]-N-methylcyclopropanecarboxamide

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ChEBI Name	N-[(2R,3S)-4-[[(2R)-1-hydroxypropan-2-yl]-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]-2-methoxy-3-methylbutyl]-N-methylcyclopropanecarboxamide

ChEBI ID	CHEBI:98304

Stars	This entity has been manually annotated by a third party.

Supplier Information

Download	Molfile XML SDF

Formula

C22H32F3N3O4

Net Charge

Average Mass

459.503

Monoisotopic Mass

459.23449

InChI

InChI=1S/C22H32F3N3O4/c1-14(19(32-4)12-27(3)20(30)16-5-6-16)11-28(15(2)13-29)21(31)26-18-9-7-17(8-10-18)22(23,24)25/h7-10,14-16,19,29H,5-6,11-13H2,1-4H3,(H,26,31)/t14-,15+,19-/m0/s1

InChIKey

GUZASBNVYSIPQO-KHYOSLBOSA-N

SMILES

C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@H](CN(C)C(=O)C2CC2)OC

ChEBI Ontology
Outgoing	N-[(2R,3S)-4-[[(2R)-1-hydroxypropan-2-yl]-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]-2-methoxy-3-methylbutyl]-N-methylcyclopropanecarboxamide (CHEBI:98304) is a ureas (CHEBI:47857)

Manual Xref	Database
LSM-9683	LINCS
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CHEBI:98304 - N-[(2R,3S)-4-[[(2R)-1-hydroxypropan-2-yl]-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]-2-methoxy-3-methylbutyl]-N-methylcyclopropanecarboxamide

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