N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-N~1~,N~1~-DIPROPYLBENZENE-1,3,5-TRICARBOXAMIDE (CHEBI:44153)

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CHEBI:44153 - N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-N~1~,N~1~-DIPROPYLBENZENE-1,3,5-TRICARBOXAMIDE

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ChEBI ID	CHEBI:44153
ChEBI Name	N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-N~1~,N~1~-DIPROPYLBENZENE-1,3,5-TRICARBOXAMIDE
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Last Modified	17 October 2009
Downloads	Molfile

Formula	C33H40F2N4O5
Net Charge	0
Average Mass	610.702
Monoisotopic Mass	610.29668
SMILES	[H]O[C@]([H])(C([H])([H])N([H])C([H])([H])c1c([H])c([H])c([H])c(OC([H])([H])[H])c1[H])[C@@]([H])(N([H])C(=O)c1c([H])c(C(=O)N([H])[H])c([H])c(C(=O)N(C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H])c1[H])C([H])([H])c1c([H])c(F)c([H])c(F)c1[H]
InChI	InChI=1S/C33H40F2N4O5/c1-4-9-39(10-5-2)33(43)25-16-23(31(36)41)15-24(17-25)32(42)38-29(14-22-11-26(34)18-27(35)12-22)30(40)20-37-19-21-7-6-8-28(13-21)44-3/h6-8,11-13,15-18,29-30,37,40H,4-5,9-10,14,19-20H2,1-3H3,(H2,36,41)(H,38,42)/t29-,30+/m0/s1
InChIKey	XIQAKRFMIYGAIR-XZWHSSHBSA-N

ChEBI Ontology

Outgoing Relation(s)
	N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-N~1~,N~1~-DIPROPYLBENZENE-1,3,5-TRICARBOXAMIDE (CHEBI:44153) is a unclassifieds (CHEBI:27189)

Synonyms	Source
N~3~-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N~1~,N~1~-dipropylbenzene-1,3,5-tricarboxamide	PDBeChem
N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-N~1~,N~1~-DIPROPYLBENZENE-1,3,5-TRICARBOXAMIDE	PDBeChem

Manual Xrefs	Databases
MR0	PDBeChem