(4S)-4-[(Allylcarbamoyl)amino]-1-[(methylsulfanyl)acetyl]-L-prolyl-D-phenylalaninamide

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Systematic / IUPAC Name: (2S,4S)-N-[(2R)-1-Amino-1-oxo-3-phenylpropan-2-yl]-1-(2-methylsulfanylacetyl)-4-(prop-2-enylcarbamoylamino)pyrrolidine-2-carboxamide

ID: Reference12266

Other Names: NAT3-155315

Formula: C21H29N5O4S

Spectral Data

(4S)-4-[(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 2409
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/22/2025 9:01:33 AM
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Identificators

InChI InChI=1S/C21H29N5O4S/c1-3-9-23-21(30)24-15-11-17(26(12-15)18(27)13-31-2)20(29)25-16(19(22)28)10-14-7-5-4-6-8-14/h3-8,15-17H,1,9-13H2,2H3,(H2,22,28)(H,25,29)(H2,23,24,30)/t15-,16+,17-/m0/s1
InChI Key QQXWEQAEWFLMJY-BBWFWOEESA-N
Canonical SMILES C=CCNC(=O)N[C@H]1C[C@@H](C(=O)N[C@H](Cc2ccccc2)C(N)=O)N(C(=O)CSC)C1
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Other Names NAT3-155315

In Other Databases

PubChem 11865733
ChemSpider 10040066