Nα-{[(2R)-4-(3-fluorobenzoyl)-1-(phenylsulfonyl)-2-piperazinyl]carbonyl}-D-tryptophanamide

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Systematic / IUPAC Name: (2R)-N-[(2R)-1-Amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(benzenesulfonyl)-4-(3-fluorobenzoyl)piperazine-2-carboxamide

ID: Reference9405

Other Names: 1H-Indole-3-propanamide, α-[[[(2R)-4-(3-fluorobenzoyl)-1-(phenylsulfonyl)-2-piperazinyl]carbonyl]amino]-, (alphar)-;
NAT9-312909

Formula: C29H28FN5O5S

Spectral Data

Nα-{[(2R)-4-(3-fluorobenzoyl)-1-(phenylsulfonyl)-2-piperazinyl]carbonyl}-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 FAIMS
No. of Spectral Trees 1
No. of Spectra 780
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 2/24/2020 12:35:49 PM
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Identificators

InChI InChI=1S/C29H28FN5O5S/c30-21-8-6-7-19(15-21)29(38)34-13-14-35(41(39,40)22-9-2-1-3-10-22)26(18-34)28(37)33-25(27(31)36)16-20-17-32-24-12-5-4-11-23(20)24/h1-12,15,17,25-26,32H,13-14,16,18H2,(H2,31,36)(H,33,37)/t25-,26-/m1/s1
InChI Key IPOLJBZXRLUKMB-CLJLJLNGSA-N
Canonical SMILES C1CN(C(CN1C(=O)C2=CC(=CC=C2)F)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N)S(=O)(=O)C5=CC=CC=C5
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Other Names 1H-Indole-3-propanamide, α-[[[(2R)-4-(3-fluorobenzoyl)-1-(phenylsulfonyl)-2-piperazinyl]carbonyl]amino]-, (alphar)-;
NAT9-312909

In Other Databases

PubChem 11887626
ChemSpider 10061949