Methyl (4S)-4-{[(4-methoxyphenyl)carbamoyl]amino}-1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-L-prolyl-D-valinate

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Systematic / IUPAC Name: Methyl (2R)-2-[[(2S,4S)-4-[(4-methoxyphenyl)carbamoylamino]-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoate

ID: Reference11993

Other Names: D-Valine, (4S)-4-[[[(4-methoxyphenyl)amino]carbonyl]amino]-1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-L-prolyl-, methyl ester;
NAT3-155476

Formula: C25H33N5O6

Spectral Data

Methyl (4S)-4-{[(4-methoxyphenyl)carbamoyl]amino}-1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-L-prolyl-D-valinate 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 2747
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/25/2022 5:12:30 PM
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Identificators

InChI InChI=1S/C25H33N5O6/c1-15(2)21(24(33)36-5)28-22(31)20-13-17(14-30(20)23(32)19-7-6-12-29(19)3)27-25(34)26-16-8-10-18(35-4)11-9-16/h6-12,15,17,20-21H,13-14H2,1-5H3,(H,28,31)(H2,26,27,34)/t17-,20-,21+/m0/s1
InChI Key WHFFQJFQMHIZPJ-DZFGPLHGSA-N
Canonical SMILES CC(C)C(C(=O)OC)NC(=O)C1CC(CN1C(=O)C2=CC=CN2C)NC(=O)NC3=CC=C(C=C3)OC
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Other Names D-Valine, (4S)-4-[[[(4-methoxyphenyl)amino]carbonyl]amino]-1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-L-prolyl-, methyl ester;
NAT3-155476

In Other Databases

ChemSpider 5471734
PubChem 7127963