[(2-{(2S,4S)-2-{[(2R)-1-Amino-4-methyl-1-oxo-2-pentanyl]carbamoyl}-4-[(2-pyrazinylcarbonyl)amino]-1-piperidinyl}-2-oxoethyl)sulfanyl]acetic acid

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Systematic / IUPAC Name: 2-[2-[(2S,4S)-2-[[(2R)-1-Amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-4-(pyrazine-2-carbonylamino)piperidin-1-yl]-2-oxoethyl]sulfanylacetic acid

ID: Reference12042

Other Names: NAT7-242376

Formula: C21H30N6O6S

Spectral Data

[(2-{(2S,4S)-2-{[(2R)-1-Amino-4-methyl-1-oxo-2-pentanyl]carbamoyl}-4-[(2-pyrazinylcarbonyl)amino]-1-piperidinyl}-2-oxoethyl)sulfanyl]acetic acid 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 625
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/10/2022 12:07:03 PM
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Identificators

InChI InChI=1S/C21H30N6O6S/c1-12(2)7-14(19(22)31)26-21(33)16-8-13(25-20(32)15-9-23-4-5-24-15)3-6-27(16)17(28)10-34-11-18(29)30/h4-5,9,12-14,16H,3,6-8,10-11H2,1-2H3,(H2,22,31)(H,25,32)(H,26,33)(H,29,30)/t13-,14+,16-/m0/s1
InChI Key IIWHBHUHLAEYRL-LZWOXQAQSA-N
Canonical SMILES CC(C)CC(C(=O)N)NC(=O)C1CC(CCN1C(=O)CSCC(=O)O)NC(=O)C2=NC=CN=C2
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Other Names NAT7-242376

In Other Databases

PubChem 7134341
ChemSpider 5477665