N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide (CHEBI:49971)

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CHEBI:49971 - N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide

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ChEBI ID	CHEBI:49971
ChEBI Name	N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
Stars
Last Modified	17 October 2009
Downloads	Molfile

Formula	C31H35F3N4O3
Net Charge	0
Average Mass	568.640
Monoisotopic Mass	568.26613
SMILES	[H]O[C@]([H])(C([H])([H])N([H])C([H])([H])c1c([H])c([H])c([H])c(C(F)(F)F)c1[H])[C@@]([H])(N([H])C(=O)c1c([H])c(N([H])C([H])([H])C([H])([H])[H])c([H])c(N2C(=O)C([H])([H])C([H])([H])C2([H])[H])c1[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H]
InChI	InChI=1S/C31H35F3N4O3/c1-2-36-25-16-23(17-26(18-25)38-13-7-12-29(38)40)30(41)37-27(15-21-8-4-3-5-9-21)28(39)20-35-19-22-10-6-11-24(14-22)31(32,33)34/h3-6,8-11,14,16-18,27-28,35-36,39H,2,7,12-13,15,19-20H2,1H3,(H,37,41)/t27-,28+/m0/s1
InChIKey	QPGDTFHILHXFBQ-WUFINQPMSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide (CHEBI:49971) is a unclassifieds (CHEBI:27189)

Synonym	Source
N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide	PDBeChem

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VG6	PDBeChem