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

enlarge

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

ID: Reference10229

Other Names: L-Tyrosine, O-methyl-N-[[(2R)-4-(phenylsulfonyl)-1-(2-thienylcarbonyl)-2-piperazinyl]carbonyl]-, methyl ester;
NAT9-311872

Formula: C27H29N3O7S2

Spectral Data

Methyl O-methyl-N-{[(2R)-4-(phenylsulfonyl)-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2218
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 2/5/2021 12:50:02 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C27H29N3O7S2/c1-36-20-12-10-19(11-13-20)17-22(27(33)37-2)28-25(31)23-18-29(39(34,35)21-7-4-3-5-8-21)14-15-30(23)26(32)24-9-6-16-38-24/h3-13,16,22-23H,14-15,17-18H2,1-2H3,(H,28,31)/t22-,23+/m0/s1
InChI Key HXUPLIDNVUIXKI-XZOQPEGZSA-N
Canonical SMILES COC1=CC=C(C=C1)CC(C(=O)OC)NC(=O)C2CN(CCN2C(=O)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4
CAS
Splash
Other Names L-Tyrosine, O-methyl-N-[[(2R)-4-(phenylsulfonyl)-1-(2-thienylcarbonyl)-2-piperazinyl]carbonyl]-, methyl ester;
NAT9-311872

In Other Databases

ChemSpider 5503312
PubChem 7164880