4-{(2S,4S)-2-{[(2R)-1-Amino-3-methyl-1-oxo-2-butanyl]carbamoyl}-4-[(2-thienylacetyl)amino]-1-piperidinyl}-4-oxobutanoic acid

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Systematic / IUPAC Name: 4-[(2S,4S)-2-[[(2R)-1-Amino-3-methyl-1-oxobutan-2-yl]carbamoyl]-4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid

ID: Reference12061

Other Names: NAT7-255777

Formula: C21H30N4O6S

Spectral Data

4-{(2S,4S)-2-{[(2R)-1-Amino-3-methyl-1-oxo-2-butanyl]carbamoyl}-4-[(2-thienylacetyl)amino]-1-piperidinyl}-4-oxobutanoic 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 1380
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/16/2022 8:43:03 AM
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Identificators

InChI InChI=1S/C21H30N4O6S/c1-12(2)19(20(22)30)24-21(31)15-10-13(23-16(26)11-14-4-3-9-32-14)7-8-25(15)17(27)5-6-18(28)29/h3-4,9,12-13,15,19H,5-8,10-11H2,1-2H3,(H2,22,30)(H,23,26)(H,24,31)(H,28,29)/t13-,15-,19+/m0/s1
InChI Key LPJXFVSNOXPRDJ-ZUEVXXBESA-N
Canonical SMILES CC(C)C(C(=O)N)NC(=O)C1CC(CCN1C(=O)CCC(=O)O)NC(=O)CC2=CC=CS2
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Other Names NAT7-255777

In Other Databases

PubChem 7134566
ChemSpider 5477784