(4S)-4-{[(2,4-Difluorophenyl)carbamoyl]amino}-1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-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-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide

ID: Reference12023

Other Names: NAT3-155416

Formula: C29H29F2N7O4

Spectral Data

(4S)-4-{[(2,4-Difluorophenyl)carbamoyl]amino}-1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-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 2443
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/5/2022 9:33:36 AM
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Identificators

InChI InChI=1S/C29H29F2N7O4/c1-37-10-4-7-24(37)28(41)38-15-18(34-29(42)36-22-9-8-17(30)12-20(22)31)13-25(38)27(40)35-23(26(32)39)11-16-14-33-21-6-3-2-5-19(16)21/h2-10,12,14,18,23,25,33H,11,13,15H2,1H3,(H2,32,39)(H,35,40)(H2,34,36,42)/t18-,23+,25-/m0/s1
InChI Key DXBCKIUURVNHRZ-UODBTFMRSA-N
Canonical SMILES CN1C=CC=C1C(=O)N2CC(CC2C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N)NC(=O)NC5=C(C=C(C=C5)F)F
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Other Names NAT3-155416

In Other Databases

PubChem 11882024
ChemSpider 10056352