Methyl O-methyl-N-{[(2R)-4-(phenylcarbamoyl)-1-(2-thienylcarbonyl)-2-piperazinyl]carbonyl}-L-tyrosinate

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

ID: Reference12302

Other Names: NAT9-311874;
L-Tyrosine, O-methyl-N-[[(2R)-4-[(phenylamino)carbonyl]-1-(2-thienylcarbonyl)-2-piperazinyl]carbonyl]-, methyl ester

Formula: C28H30N4O6S

Spectral Data

Methyl O-methyl-N-{[(2R)-4-(phenylcarbamoyl)-1-(2-thienylcarbonyl)-2-piperazinyl]carbonyl}-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 1
No. of Spectra 2060
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/27/2023 1:06:06 PM
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Identificators

InChI InChI=1S/C28H30N4O6S/c1-37-21-12-10-19(11-13-21)17-22(27(35)38-2)30-25(33)23-18-31(28(36)29-20-7-4-3-5-8-20)14-15-32(23)26(34)24-9-6-16-39-24/h3-13,16,22-23H,14-15,17-18H2,1-2H3,(H,29,36)(H,30,33)/t22-,23+/m0/s1
InChI Key SIAGQANZYLXCQU-XZOQPEGZSA-N
Canonical SMILES COC1=CC=C(C=C1)CC(C(=O)OC)NC(=O)C2CN(CCN2C(=O)C3=CC=CS3)C(=O)NC4=CC=CC=C4
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Other Names NAT9-311874;
L-Tyrosine, O-methyl-N-[[(2R)-4-[(phenylamino)carbonyl]-1-(2-thienylcarbonyl)-2-piperazinyl]carbonyl]-, methyl ester

In Other Databases

PubChem 7164881
ChemSpider 5503313