(4S)-4-[(Cyclohexylcarbamoyl)amino]-1-[(methylsulfanyl)acetyl]-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-(cyclohexylcarbamoylamino)-1-(2-methylsulfanylacetyl)pyrrolidine-2-carboxamide

ID: Reference12277

Other Names: D-Tryptophanamide, (4S)-4-[[(cyclohexylamino)carbonyl]amino]-1-[2-(methylthio)acetyl]-L-prolyl-;
NAT3-155429

Formula: C26H36N6O4S

Spectral Data

(4S)-4-[(Cyclohexylcarbamoyl)amino]-1-[(methylsulfanyl)acetyl]-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 2747
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/20/2023 12:03:26 PM
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Identificators

InChI InChI=1S/C26H36N6O4S/c1-37-15-23(33)32-14-18(30-26(36)29-17-7-3-2-4-8-17)12-22(32)25(35)31-21(24(27)34)11-16-13-28-20-10-6-5-9-19(16)20/h5-6,9-10,13,17-18,21-22,28H,2-4,7-8,11-12,14-15H2,1H3,(H2,27,34)(H,31,35)(H2,29,30,36)/t18-,21+,22-/m0/s1
InChI Key CILUHRCLASWGMF-BWAGFHJFSA-N
Canonical SMILES CSCC(=O)N1CC(CC1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N)NC(=O)NC4CCCCC4
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Other Names D-Tryptophanamide, (4S)-4-[[(cyclohexylamino)carbonyl]amino]-1-[2-(methylthio)acetyl]-L-prolyl-;
NAT3-155429

In Other Databases

ChemSpider 10056358
PubChem 11882030