(4S)-1-[(Methylsulfanyl)acetyl]-4-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-L-prolyl-N2-methylglycinamide
12835
Reference
(4S)-1-[(Methylsulfanyl)acetyl]-4-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-L-prolyl-N2-methylglycinamide Structure
Systematic / IUPAC Name: (2S,4S)-N-(2-Amino-2-oxoethyl)-N-methyl-1-(2-methylsulfanylacetyl)-4-[(3-methylsulfanylphenyl)carbamoylamino]pyrrolidine-2-carboxamide
ID: Reference12835
Other Names: NAT3-155255
Formula: C19H27N5O4S2
Spectral Data
(4S)-1-[(Methylsulfanyl)acetyl]-4-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-L-prolyl-N2-methylglycinamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1991 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/23/2023 10:01:17 AM |
Identificators
| InChI | InChI=1S/C19H27N5O4S2/c1-23(10-16(20)25)18(27)15-8-13(9-24(15)17(26)11-29-2)22-19(28)21-12-5-4-6-14(7-12)30-3/h4-7,13,15H,8-11H2,1-3H3,(H2,20,25)(H2,21,22,28)/t13-,15-/m0/s1 |
| InChI Key | SWJPTOPEYWPFCF-ZFWWWQNUSA-N |
| Canonical SMILES | CN(CC(=O)N)C(=O)C1CC(CN1C(=O)CSC)NC(=O)NC2=CC(=CC=C2)SC |
| CAS | |
| Splash | |
| Other Names | NAT3-155255 |