N-[(2S,3S)-4-[[(2S)-1-hydroxypropan-2-yl]-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]-2-methoxy-3-methylbutyl]-N-methyloxane-4-carboxamide (CHEBI:97632)

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CHEBI:97632 - N-[(2S,3S)-4-[[(2S)-1-hydroxypropan-2-yl]-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]-2-methoxy-3-methylbutyl]-N-methyloxane-4-carboxamide

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

ChEBI ID	CHEBI:97632

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

Supplier Information

Download	Molfile XML SDF

Formula

C24H36F3N3O5

Net Charge

Average Mass

503.556

Monoisotopic Mass

503.26071

InChI

InChI=1S/C24H36F3N3O5/c1-16(21(34-4)14-29(3)22(32)18-9-11-35-12-10-18)13-30(17(2)15-31)23(33)28-20-7-5-19(6-8-20)24(25,26)27/h5-8,16-18,21,31H,9-15H2,1-4H3,(H,28,33)/t16-,17-,21+/m0/s1

InChIKey

NYUANTAUILYKHE-XGHQBKJUSA-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)C2CCOCC2)OC

ChEBI Ontology
Outgoing	N-[(2S,3S)-4-[[(2S)-1-hydroxypropan-2-yl]-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]-2-methoxy-3-methylbutyl]-N-methyloxane-4-carboxamide (CHEBI:97632) is a ureas (CHEBI:47857)

Manual Xref	Database
LSM-9011	LINCS
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CHEBI:97632 - N-[(2S,3S)-4-[[(2S)-1-hydroxypropan-2-yl]-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]-2-methoxy-3-methylbutyl]-N-methyloxane-4-carboxamide

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