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

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

ID: Reference12293

Other Names: D-Phenylalaninamide, (3S)-3-[[[(1-methylethyl)amino]carbonyl]amino]-1-[2-(methylthio)acetyl]-L-prolyl-;
NAT3-177931

Formula: C21H31N5O4S

Spectral Data

(3S)-3-[(Isopropylcarbamoyl)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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2582
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/20/2023 4:36:10 PM
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Identificators

InChI InChI=1S/C21H31N5O4S/c1-13(2)23-21(30)25-15-9-10-26(17(27)12-31-3)18(15)20(29)24-16(19(22)28)11-14-7-5-4-6-8-14/h4-8,13,15-16,18H,9-12H2,1-3H3,(H2,22,28)(H,24,29)(H2,23,25,30)/t15-,16+,18-/m0/s1
InChI Key JEKGMYZXYVCMPT-JZXOWHBKSA-N
Canonical SMILES CC(C)NC(=O)NC1CCN(C1C(=O)NC(CC2=CC=CC=C2)C(=O)N)C(=O)CSC
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Other Names D-Phenylalaninamide, (3S)-3-[[[(1-methylethyl)amino]carbonyl]amino]-1-[2-(methylthio)acetyl]-L-prolyl-;
NAT3-177931

In Other Databases

PubChem 11865837
ChemSpider 10040170