Methyl N-{[(2R)-4-[4-(dimethylamino)benzoyl]-1-(phenylsulfonyl)-2-piperazinyl]carbonyl}-O-methyl-L-tyrosinate

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Systematic / IUPAC Name: Methyl (2S)-2-[[(2R)-1-(benzenesulfonyl)-4-[4-(dimethylamino)benzoyl]piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate

ID: Reference10228

Other Names: L-Tyrosine, N-[[(2R)-4-[4-(dimethylamino)benzoyl]-1-(phenylsulfonyl)-2-piperazinyl]carbonyl]-O-methyl-, methyl ester;
NAT9-311908

Formula: C31H36N4O7S

Spectral Data

Methyl N-{[(2R)-4-[4-(dimethylamino)benzoyl]-1-(phenylsulfonyl)-2-piperazinyl]carbonyl}-O-methyl-L-tyrosinate 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 Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 1670
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 2/5/2021 12:48:58 PM
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Identificators

InChI InChI=1S/C31H36N4O7S/c1-33(2)24-14-12-23(13-15-24)30(37)34-18-19-35(43(39,40)26-8-6-5-7-9-26)28(21-34)29(36)32-27(31(38)42-4)20-22-10-16-25(41-3)17-11-22/h5-17,27-28H,18-21H2,1-4H3,(H,32,36)/t27-,28+/m0/s1
InChI Key BVBBRLOFGFNBQX-WUFINQPMSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C(=O)N2CCN(C(C2)C(=O)NC(CC3=CC=C(C=C3)OC)C(=O)OC)S(=O)(=O)C4=CC=CC=C4
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Other Names L-Tyrosine, N-[[(2R)-4-[4-(dimethylamino)benzoyl]-1-(phenylsulfonyl)-2-piperazinyl]carbonyl]-O-methyl-, methyl ester;
NAT9-311908

In Other Databases

ChemSpider 5459473
PubChem 7113393