(3S)-3-[(Cyclohexylcarbamoyl)amino]-1-[(methylsulfanyl)acetyl]-L-prolyl-D-phenylalaninamide

enlarge

Systematic / IUPAC Name: (2S,3S)-N-[(2R)-1-Amino-1-oxo-3-phenylpropan-2-yl]-3-(cyclohexylcarbamoylamino)-1-(2-methylsulfanylacetyl)pyrrolidine-2-carboxamide

ID: Reference12294

Other Names: D-Phenylalaninamide, (3S)-3-[[(cyclohexylamino)carbonyl]amino]-1-[2-(methylthio)acetyl]-L-prolyl-;
NAT3-177949

Formula: C24H35N5O4S

Spectral Data

(3S)-3-[(Cyclohexylcarbamoyl)amino]-1-[(methylsulfanyl)acetyl]-L-prolyl-D-phenylalaninamide 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 2441
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/20/2023 4:40:08 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C24H35N5O4S/c1-34-15-20(30)29-13-12-18(28-24(33)26-17-10-6-3-7-11-17)21(29)23(32)27-19(22(25)31)14-16-8-4-2-5-9-16/h2,4-5,8-9,17-19,21H,3,6-7,10-15H2,1H3,(H2,25,31)(H,27,32)(H2,26,28,33)/t18-,19+,21-/m0/s1
InChI Key CFICXHCMYQFXRO-ZVDOUQERSA-N
Canonical SMILES CSCC(=O)N1CCC(C1C(=O)NC(CC2=CC=CC=C2)C(=O)N)NC(=O)NC3CCCCC3
CAS
Splash
Other Names D-Phenylalaninamide, (3S)-3-[[(cyclohexylamino)carbonyl]amino]-1-[2-(methylthio)acetyl]-L-prolyl-;
NAT3-177949

In Other Databases

ChemSpider 10040179
PubChem 11865846