(4S)-4-[(Isopropylcarbamoyl)amino]-1-[(methylsulfanyl)acetyl]-L-prolyl-3-(2-thienyl)-L-alaninamide

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Systematic / IUPAC Name: (2S,4S)-N-[(2S)-1-Amino-1-oxo-3-thiophen-2-ylpropan-2-yl]-1-(2-methylsulfanylacetyl)-4-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide

ID: Reference13080

Other Names: L-Alaninamide, (4S)-4-[[[(1-methylethyl)amino]carbonyl]amino]-1-[2-(methylthio)acetyl]-L-prolyl-3-(2-thienyl)-;
NAT3-155339

Formula: C19H29N5O4S2

Spectral Data

(4S)-4-[(Isopropylcarbamoyl)amino]-1-[(methylsulfanyl)acetyl]-L-prolyl-3-(2-thienyl)-L-alaninamide 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 2665
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/28/2024 9:48:03 AM
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Identificators

InChI InChI=1S/C19H29N5O4S2/c1-11(2)21-19(28)22-12-7-15(24(9-12)16(25)10-29-3)18(27)23-14(17(20)26)8-13-5-4-6-30-13/h4-6,11-12,14-15H,7-10H2,1-3H3,(H2,20,26)(H,23,27)(H2,21,22,28)/t12-,14-,15-/m0/s1
InChI Key FQAZAGYHAXHIGB-QEJZJMRPSA-N
Canonical SMILES CC(C)NC(=O)NC1CC(N(C1)C(=O)CSC)C(=O)NC(CC2=CC=CS2)C(=O)N
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Other Names L-Alaninamide, (4S)-4-[[[(1-methylethyl)amino]carbonyl]amino]-1-[2-(methylthio)acetyl]-L-prolyl-3-(2-thienyl)-;
NAT3-155339

In Other Databases

PubChem 7127933
ChemSpider 5471725