(4S)-4-[(Allylcarbamoyl)amino]-1-(3-methyl-2-butenoyl)-L-prolyl-D-tryptophanamide

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Systematic / IUPAC Name: (2S,4S)-N-[(2R)-1-Amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(3-methylbut-2-enoyl)-4-(prop-2-enylcarbamoylamino)pyrrolidine-2-carboxamide

ID: Reference12915

Other Names: D-Tryptophanamide, (4S)-1-(3-methyl-1-oxo-2-buten-1-yl)-4-[[(2-propen-1-ylamino)carbonyl]amino]-L-prolyl-;
NAT3-155419

Formula: C25H32N6O4

Spectral Data

(4S)-4-[(Allylcarbamoyl)amino]-1-(3-methyl-2-butenoyl)-L-prolyl-D-tryptophanamide 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 1230
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/1/2023 10:11:10 AM
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Identificators

InChI InChI=1S/C25H32N6O4/c1-4-9-27-25(35)29-17-12-21(31(14-17)22(32)10-15(2)3)24(34)30-20(23(26)33)11-16-13-28-19-8-6-5-7-18(16)19/h4-8,10,13,17,20-21,28H,1,9,11-12,14H2,2-3H3,(H2,26,33)(H,30,34)(H2,27,29,35)/t17-,20+,21-/m0/s1
InChI Key AYMNXGDXZMNDDJ-WMQCIHAUSA-N
Canonical SMILES CC(=CC(=O)N1CC(CC1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N)NC(=O)NCC=C)C
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Other Names D-Tryptophanamide, (4S)-1-(3-methyl-1-oxo-2-buten-1-yl)-4-[[(2-propen-1-ylamino)carbonyl]amino]-L-prolyl-;
NAT3-155419

In Other Databases

ChemSpider 10040069
PubChem 11865736