(3S)-3-({[3-(Methylsulfanyl)phenyl]carbamoyl}amino)-1-(2-pyrazinylcarbonyl)-L-prolyl-3-(2-thienyl)-L-alaninamide

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Systematic / IUPAC Name: (2S,3S)-N-[(2S)-1-Amino-1-oxo-3-thiophen-2-ylpropan-2-yl]-3-[(3-methylsulfanylphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide

ID: Reference12013

Other Names: NAT3-177921

Formula: C25H27N7O4S2

Spectral Data

(3S)-3-({[3-(Methylsulfanyl)phenyl]carbamoyl}amino)-1-(2-pyrazinylcarbonyl)-L-prolyl-3-(2-thienyl)-L-alaninamide 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 2757
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/2/2022 8:38:13 AM
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Identificators

InChI InChI=1S/C25H27N7O4S2/c1-37-16-5-2-4-15(12-16)29-25(36)31-18-7-10-32(24(35)20-14-27-8-9-28-20)21(18)23(34)30-19(22(26)33)13-17-6-3-11-38-17/h2-6,8-9,11-12,14,18-19,21H,7,10,13H2,1H3,(H2,26,33)(H,30,34)(H2,29,31,36)/t18-,19-,21-/m0/s1
InChI Key WEWUGOROGIDBDQ-ZJOUEHCJSA-N
Canonical SMILES CSC1=CC=CC(=C1)NC(=O)NC2CCN(C2C(=O)NC(CC3=CC=CS3)C(=O)N)C(=O)C4=NC=CN=C4
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Other Names NAT3-177921

In Other Databases

ChemSpider 10056398
PubChem 11882070