{2-[(2S,4R)-4-(Allyloxy)-2-{[(2S)-1-amino-1-oxo-3-(2-thienyl)-2-propanyl]carbamoyl}-1-piperidinyl]-2-oxoethoxy}acetic acid

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Systematic / IUPAC Name: 2-[2-[(2S,4R)-2-[[(2S)-1-Amino-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamoyl]-4-prop-2-enoxypiperidin-1-yl]-2-oxoethoxy]acetic acid

ID: Reference12380

Other Names: NAT7-242545

Formula: C20H27N3O7S

Spectral Data

{2-[(2S,4R)-4-(Allyloxy)-2-{[(2S)-1-amino-1-oxo-3-(2-thienyl)-2-propanyl]carbamoyl}-1-piperidinyl]-2-oxoethoxy}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 1399
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/17/2023 3:00:15 PM
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Identificators

InChI InChI=1S/C20H27N3O7S/c1-2-7-30-13-5-6-23(17(24)11-29-12-18(25)26)16(9-13)20(28)22-15(19(21)27)10-14-4-3-8-31-14/h2-4,8,13,15-16H,1,5-7,9-12H2,(H2,21,27)(H,22,28)(H,25,26)/t13-,15+,16+/m1/s1
InChI Key ATEAWRXKTYSUDU-KBMXLJTQSA-N
Canonical SMILES C=CCOC1CCN(C(C1)C(=O)NC(CC2=CC=CS2)C(=O)N)C(=O)COCC(=O)O
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Other Names NAT7-242545

In Other Databases

ChemSpider 21388574
PubChem 26763478