Methyl (3S)-3-{[(3-methoxyphenyl)carbamoyl]amino}-1-[(methylsulfanyl)acetyl]-L-prolyl-D-valinate

enlarge

Systematic / IUPAC Name: Methyl (2R)-2-[[(2S,3S)-3-[(3-methoxyphenyl)carbamoylamino]-1-(2-methylsulfanylacetyl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoate

ID: Reference12730

Other Names: D-Valine, (3S)-3-[[[(3-methoxyphenyl)amino]carbonyl]amino]-1-[2-(methylthio)acetyl]-L-prolyl-, methyl ester;
NAT3-178105

Formula: C22H32N4O6S

Spectral Data

Methyl (3S)-3-{[(3-methoxyphenyl)carbamoyl]amino}-1-[(methylsulfanyl)acetyl]-L-prolyl-D-valinate 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 2590
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/21/2023 8:29:11 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H32N4O6S/c1-13(2)18(21(29)32-4)25-20(28)19-16(9-10-26(19)17(27)12-33-5)24-22(30)23-14-7-6-8-15(11-14)31-3/h6-8,11,13,16,18-19H,9-10,12H2,1-5H3,(H,25,28)(H2,23,24,30)/t16-,18+,19-/m0/s1
InChI Key IGWPCGALXTWTEX-UHOSZYNNSA-N
Canonical SMILES CC(C)C(C(=O)OC)NC(=O)C1C(CCN1C(=O)CSC)NC(=O)NC2=CC(=CC=C2)OC
CAS
Splash
Other Names D-Valine, (3S)-3-[[[(3-methoxyphenyl)amino]carbonyl]amino]-1-[2-(methylthio)acetyl]-L-prolyl-, methyl ester;
NAT3-178105

In Other Databases

ChemSpider 5471815
PubChem 7128128