(3S)-3-[(Cyclohexylcarbamoyl)amino]-1-(2-pyrazinylcarbonyl)-L-prolyl-D-tryptophanamide

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Systematic / IUPAC Name: (2S,3S)-N-[(2R)-1-Amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(cyclohexylcarbamoylamino)-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide

ID: Reference12290

Other Names: D-Tryptophanamide, (3S)-3-[[(cyclohexylamino)carbonyl]amino]-1-(2-pyrazinylcarbonyl)-L-prolyl-;
NAT3-178059

Formula: C28H34N8O4

Spectral Data

(3S)-3-[(Cyclohexylcarbamoyl)amino]-1-(2-pyrazinylcarbonyl)-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 2517
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/20/2023 4:27:39 PM
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Identificators

InChI InChI=1S/C28H34N8O4/c29-25(37)22(14-17-15-32-20-9-5-4-8-19(17)20)34-26(38)24-21(35-28(40)33-18-6-2-1-3-7-18)10-13-36(24)27(39)23-16-30-11-12-31-23/h4-5,8-9,11-12,15-16,18,21-22,24,32H,1-3,6-7,10,13-14H2,(H2,29,37)(H,34,38)(H2,33,35,40)/t21-,22+,24-/m0/s1
InChI Key MFFAGYYXIDMYOH-ZDXQCDESSA-N
Canonical SMILES C1CCC(CC1)NC(=O)NC2CCN(C2C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N)C(=O)C5=NC=CN=C5
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Other Names D-Tryptophanamide, (3S)-3-[[(cyclohexylamino)carbonyl]amino]-1-(2-pyrazinylcarbonyl)-L-prolyl-;
NAT3-178059

In Other Databases

PubChem 7128114
ChemSpider 5471805