(3S)-1-(3,3-Dimethylbutanoyl)-3-[(isopropylcarbamoyl)amino]-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]-1-(3,3-dimethylbutanoyl)-3-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide

ID: Reference12376

Other Names: D-Tryptophanamide, (3S)-1-(3,3-dimethyl-1-oxobutyl)-3-[[[(1-methylethyl)amino]carbonyl]amino]-L-prolyl-;
NAT3-178036

Formula: C26H38N6O4

Spectral Data

(3S)-1-(3,3-Dimethylbutanoyl)-3-[(isopropylcarbamoyl)amino]-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 2192
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/17/2023 1:51:34 PM
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Identificators

InChI InChI=1S/C26H38N6O4/c1-15(2)29-25(36)31-19-10-11-32(21(33)13-26(3,4)5)22(19)24(35)30-20(23(27)34)12-16-14-28-18-9-7-6-8-17(16)18/h6-9,14-15,19-20,22,28H,10-13H2,1-5H3,(H2,27,34)(H,30,35)(H2,29,31,36)/t19-,20+,22-/m0/s1
InChI Key CNZNUNNFJAOPNG-VWPQPMDRSA-N
Canonical SMILES CC(C)NC(=O)NC1CCN(C1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N)C(=O)CC(C)(C)C
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Other Names D-Tryptophanamide, (3S)-1-(3,3-dimethyl-1-oxobutyl)-3-[[[(1-methylethyl)amino]carbonyl]amino]-L-prolyl-;
NAT3-178036

In Other Databases

ChemSpider 10040190
PubChem 11865857