(3S)-3-[(Allylcarbamoyl)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-(prop-2-enylcarbamoylamino)pyrrolidine-2-carboxamide

ID: Reference12916

Other Names: D-Phenylalaninamide, (3S)-1-[2-(methylthio)acetyl]-3-[[(2-propen-1-ylamino)carbonyl]amino]-L-prolyl-;
NAT3-177943

Formula: C21H29N5O4S

Spectral Data

(3S)-3-[(Allylcarbamoyl)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 1679
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/1/2023 10:12:20 AM
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Identificators

InChI InChI=1S/C21H29N5O4S/c1-3-10-23-21(30)25-15-9-11-26(17(27)13-31-2)18(15)20(29)24-16(19(22)28)12-14-7-5-4-6-8-14/h3-8,15-16,18H,1,9-13H2,2H3,(H2,22,28)(H,24,29)(H2,23,25,30)/t15-,16+,18-/m0/s1
InChI Key BOOQBTGIAVNGPC-JZXOWHBKSA-N
Canonical SMILES CSCC(=O)N1CCC(C1C(=O)NC(CC2=CC=CC=C2)C(=O)N)NC(=O)NCC=C
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Other Names D-Phenylalaninamide, (3S)-1-[2-(methylthio)acetyl]-3-[[(2-propen-1-ylamino)carbonyl]amino]-L-prolyl-;
NAT3-177943

In Other Databases

ChemSpider 10040176
PubChem 11865843