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N-[2-[4-BENZYL-(2R)-[(1S)-AMINO-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ARG(PBF)-NH-BN-HYDROCHLORIDE

Compound with spectra: 1 NMR

N-[2-[4-BENZYL-(2R)-[(1S)-AMINO-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ARG(PBF)-NH-BN-HYDROCHLORIDE
SpectraBase Compound ID DUvrZRLS6eX
InChI InChI=1S/C47H60N8O6S.ClH/c1-31-32(2)44(33(3)37-25-47(4,5)61-43(31)37)62(59,60)53-46(49)50-23-15-22-39(45(58)51-26-35-18-11-7-12-19-35)52-41(56)29-54-30-42(57)55(27-36-20-13-8-14-21-36)28-40(54)38(48)24-34-16-9-6-10-17-34;/h6-14,16-21,38-40H,15,22-30,48H2,1-5H3,(H,51,58)(H,52,56)(H3,49,50,53);1H/t38-,39?,40+;/m0./s1
InChIKey QKYVWXIHWHXNNE-AFMOUHCESA-N
Mol Weight 901.6 g/mol
Molecular Formula C47H61ClN8O6S
Exact Mass 900.412331 g/mol
Parent InChIKey VUDOGFTYUKBSTI-JVOCVZPZSA-N
Enantiomer InChIKey QKYVWXIHWHXNNE-CXDOETGPSA-N

View Spectrum of N-[2-[4-BENZYL-(2R)-[(1S)-AMINO-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ARG(PBF)-NH-BN-HYDROCHLORIDE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
N-[2-[4-BENZYL-(2S)-[(1S)-AMINO-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ARG(PBF)-NH-BN-HYDROCHLORIDE
(4[(AMINO-(2,2,5,6,8-PENTAMETHYLCHROMAN-7-SULFONYLIMINO)-METHYL)-AMINO]-(S)-1-AZIDOMETHYLBUTYL)-CARBAMIC-ACID-9H-FLUOREN-9-YL-METHYLESTER
trimethylsilyl 7-methoxy-2-(3-methoxy-4-trimethylsilyloxy-phenyl)-5-(3-oxo-3-trimethylsilyloxy-prop-1-enyl)-2,3-dihydrobenzofuran-3-carboxylate
6-ALPHA-HYDROXY-8-METHOXY-1-METHYL-1,2,3,4,4A,5,6,10B-OCTAHYDROBENZO-[H]-QUINOLINE-6-BETA-CARBOXYLIC-ACID-METHYLESTER
2-(butylsulfanyl)-3-(4-methoxyphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
GARCINEXANTHONE-A;3,4-DIHYDRO-7,10-DIHYDROXY-12-METHOXY-2,2-DIMETHYL-2H,6H-PYRANO-[3,2-B]-XANTHEN-6-ONE
11H-Dibenzo[b,e][1,4]dioxepin-6-carboxaldehyde, 2,7-dichloro-8-hydroxy-3-methoxy-1,4,9-trimethyl-11-oxo-
7,9-dimethylpyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione
(1S*,2R*,4R*,5R*,6R*,8R*)-4-BROMO-2,5,6-TRIMETHYL-11-METHYLENETRICYCLO-[6.2.1.0(1,6)]-UNDECAN-3-ONE;7-BROMO-5,8,8A-TRIMETHYL-9-METHYLENEHEXAHYDRO-2
10-(2-isopropyl-1,3-thiazol-4-yl)-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one
Title Journal or Book Year
Exploring the Phe-Gly Dipeptide-Derived Piperazinone Scaffold in the Search for Antagonists of the Thrombin Receptor PAR1 Molecules 2014
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