(4S)-4-{[(2,4-Difluorophenyl)carbamoyl]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]-4-[(2,4-difluorophenyl)carbamoylamino]-1-(3-methylbut-2-enoyl)pyrrolidine-2-carboxamide

ID: Reference12932

Other Names: D-Tryptophanamide, (4S)-4-[[[(2,4-difluorophenyl)amino]carbonyl]amino]-1-(3-methyl-1-oxo-2-buten-1-yl)-L-prolyl-;
NAT3-155413

Formula: C28H30F2N6O4

Spectral Data

(4S)-4-{[(2,4-Difluorophenyl)carbamoyl]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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1895
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/14/2023 12:43:11 PM
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Identificators

InChI InChI=1S/C28H30F2N6O4/c1-15(2)9-25(37)36-14-18(33-28(40)35-22-8-7-17(29)11-20(22)30)12-24(36)27(39)34-23(26(31)38)10-16-13-32-21-6-4-3-5-19(16)21/h3-9,11,13,18,23-24,32H,10,12,14H2,1-2H3,(H2,31,38)(H,34,39)(H2,33,35,40)/t18-,23+,24-/m0/s1
InChI Key RZOHBKLJRDYAPJ-GLYQVZKVSA-N
Canonical SMILES CC(=CC(=O)N1CC(CC1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N)NC(=O)NC4=C(C=C(C=C4)F)F)C
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Other Names D-Tryptophanamide, (4S)-4-[[[(2,4-difluorophenyl)amino]carbonyl]amino]-1-(3-methyl-1-oxo-2-buten-1-yl)-L-prolyl-;
NAT3-155413

In Other Databases

PubChem 11882023
ChemSpider 10056351