N-(2-{4-[3-(4-{[4-(acetylamino)benzyl]oxy}-2,3-dichlorophenyl)-1-methyl-1H-pyrazol-5-yl]piperidin-1-yl}-2-oxoethyl)-N(2)-carbamimidoyl-D-leucinamide (CHEBI:47418)

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CHEBI:47418 - N-(2-{4-[3-(4-{[4-(acetylamino)benzyl]oxy}-2,3-dichlorophenyl)-1-methyl-1H-pyrazol-5-yl]piperidin-1-yl}-2-oxoethyl)-N²-carbamimidoyl-D-leucinamide

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ChEBI ID	CHEBI:47418
ChEBI Name	N-(2-{4-[3-(4-{[4-(acetylamino)benzyl]oxy}-2,3-dichlorophenyl)-1-methyl-1H-pyrazol-5-yl]piperidin-1-yl}-2-oxoethyl)-N²-carbamimidoyl-D-leucinamide
Stars
ASCII Name	N-(2-{4-[3-(4-{[4-(acetylamino)benzyl]oxy}-2,3-dichlorophenyl)-1-methyl-1H-pyrazol-5-yl]piperidin-1-yl}-2-oxoethyl)-N(2)-carbamimidoyl-D-leucinamide
Last Modified	16 December 2014
Downloads	Molfile

Formula	C33H42Cl2N8O4
Net Charge	0
Average Mass	685.657
Monoisotopic Mass	684.27061
SMILES	[H]/N=C(\N([H])[H])N([H])[C@@]([H])(C(=O)N([H])C([H])([H])C(=O)N1C([H])([H])C([H])([H])C([H])(c2c([H])c(-c3c([H])c([H])c(OC([H])([H])c4c([H])c([H])c(N([H])C(=O)C([H])([H])[H])c([H])c4[H])c(Cl)c3Cl)nn2C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
InChI	InChI=1S/C33H42Cl2N8O4/c1-19(2)15-26(40-33(36)37)32(46)38-17-29(45)43-13-11-22(12-14-43)27-16-25(41-42(27)4)24-9-10-28(31(35)30(24)34)47-18-21-5-7-23(8-6-21)39-20(3)44/h5-10,16,19,22,26H,11-15,17-18H2,1-4H3,(H,38,46)(H,39,44)(H4,36,37,40)/t26-/m1/s1
InChIKey	VCXMTWSYQSVWRK-AREMUKBSSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-(2-{4-[3-(4-{[4-(acetylamino)benzyl]oxy}-2,3-dichlorophenyl)-1-methyl-1H-pyrazol-5-yl]piperidin-1-yl}-2-oxoethyl)-N²-carbamimidoyl-D-leucinamide (CHEBI:47418) is a D-leucine derivative (CHEBI:84114)
	N-(2-{4-[3-(4-{[4-(acetylamino)benzyl]oxy}-2,3-dichlorophenyl)-1-methyl-1H-pyrazol-5-yl]piperidin-1-yl}-2-oxoethyl)-N²-carbamimidoyl-D-leucinamide (CHEBI:47418) is a dichlorobenzene (CHEBI:23697)
	N-(2-{4-[3-(4-{[4-(acetylamino)benzyl]oxy}-2,3-dichlorophenyl)-1-methyl-1H-pyrazol-5-yl]piperidin-1-yl}-2-oxoethyl)-N²-carbamimidoyl-D-leucinamide (CHEBI:47418) is a guanidines (CHEBI:24436)
	N-(2-{4-[3-(4-{[4-(acetylamino)benzyl]oxy}-2,3-dichlorophenyl)-1-methyl-1H-pyrazol-5-yl]piperidin-1-yl}-2-oxoethyl)-N²-carbamimidoyl-D-leucinamide (CHEBI:47418) is a pyrazolylpiperidine (CHEBI:48654)

Synonyms	Source
2-GUANIDINO-4-METHYL-PENTANOIC ACID [2-(4-{5-[4-(4-ACETYLAMINO-BENZYLOXY)-2,3-DICHLORO-PHENYL]-2-METHYL-2H-PYRAZOL-3-YL}-PIPERIDIN-1-YL)-2-OXO-ETHYL]-AMIDE	PDBeChem
N-(2-{4-[3-(4-{[4-(acetylamino)benzyl]oxy}-2,3-dichlorophenyl)-1-methyl-1H-pyrazol-5-yl]piperidin-1-yl}-2-oxoethyl)-N~2~-carbamimidoyl-D-leucinamide	PDBeChem

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FRI	PDBeChem