SSR240612

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Systematic / IUPAC Name: Nα-[(3R)-3-(1,3-benzodioxol-5-yl)-3-{[(6-methoxy-2-naphthyl)sulfonyl]amino}propanoyl]-4-{[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl}-N-isopropyl-N-methyl-D-phenylalaninamide

ID: Reference3056

Other Names: (2R)-2-({(3R)-3-(1,3-Benzodioxol-5-yl)-3-[(6-methoxy-2-naphthyl)sulfonylamino]-1-oxopropyl}amino)-3-(4-{[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl}phenyl)-N-isopropyl-N-methylpropanamide ;
(2R)-2-({(3R)-3-(1,3-Benzodioxol-5-yl)-3-[(6-methoxy-2-naphthyl)sulfonylamino]propanoyl}amino)-3-(4-{[(2R,6S)-2,6-dimethyl-1-piperidyl]methyl}phenyl)-N-isopropyl-N-methyl-propanamide ;
(2R)-2-({(3R)-3-(1,3-Benzodioxol-5-yl)-3-[(6-methoxynaphthalen-2-yl)sulfonylamino]propanoyl}amino)-3-(4-{[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl}phenyl)-N-methyl-N-propan-2-ylpropanamide

Formula: C42H52N4O7S

Spectral Data

SSR240612 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 241
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 9/29/2015 12:40:28 PM
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Identificators

InChI InChI=1S/C42H52N4O7S/c1-27(2)45(5)42(48)38(20-30-10-12-31(13-11-30)25-46-28(3)8-7-9-29(46)4)43-41(47)24-37(34-16-19-39-40(23-34)53-26-52-39)44-54(49,50)36-18-15-32-21-35(51-6)17-14-33(32)22-36/h10-19,21-23,27-29,37-38,44H,7-9,20,24-26H2,1-6H3,(H,43,47)/t28-,29+,37-,38-/m1/s1
InChI Key QGWIQIAWOCJRPI-WSCVWKGISA-N
Canonical SMILES CC1CCCC(N1CC2=CC=C(C=C2)CC(C(=O)N(C)C(C)C)NC(=O)CC(C3=CC4=C(C=C3)OCO4)NS(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)OC)C
CAS 465539702
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Other Names (2R)-2-({(3R)-3-(1,3-Benzodioxol-5-yl)-3-[(6-methoxy-2-naphthyl)sulfonylamino]-1-oxopropyl}amino)-3-(4-{[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl}phenyl)-N-isopropyl-N-methylpropanamide ;
(2R)-2-({(3R)-3-(1,3-Benzodioxol-5-yl)-3-[(6-methoxy-2-naphthyl)sulfonylamino]propanoyl}amino)-3-(4-{[(2R,6S)-2,6-dimethyl-1-piperidyl]methyl}phenyl)-N-isopropyl-N-methyl-propanamide ;
(2R)-2-({(3R)-3-(1,3-Benzodioxol-5-yl)-3-[(6-methoxynaphthalen-2-yl)sulfonylamino]propanoyl}amino)-3-(4-{[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl}phenyl)-N-methyl-N-propan-2-ylpropanamide

In Other Databases

ChemSpider 8029293
ChEMBL CHEMBL2021721
PubChem 9853583