(2-{(2S,4S)-2-{[(2R)-2-(Methoxycarbonyl)-1-pyrrolidinyl]carbonyl}-4-[(2-thienylsulfonyl)amino]-1-piperidinyl}-2-oxoethoxy)acetic acid

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Systematic / IUPAC Name: 2-[2-[(2S,4S)-2-[(2R)-2-Methoxycarbonylpyrrolidine-1-carbonyl]-4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]-2-oxoethoxy]acetic acid

ID: Reference12273

Other Names: D-Proline, 1-[[(2S,4S)-1-[2-(carboxymethoxy)acetyl]-4-[(2-thienylsulfonyl)amino]-2-piperidinyl]carbonyl]-, methyl ester;
NAT7-262146

Formula: C20H27N3O9S2

Spectral Data

(2-{(2S,4S)-2-{[(2R)-2-(Methoxycarbonyl)-1-pyrrolidinyl]carbonyl}-4-[(2-thienylsulfonyl)amino]-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 870
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/16/2023 4:04:42 PM
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Identificators

InChI InChI=1S/C20H27N3O9S2/c1-31-20(28)14-4-2-7-23(14)19(27)15-10-13(21-34(29,30)18-5-3-9-33-18)6-8-22(15)16(24)11-32-12-17(25)26/h3,5,9,13-15,21H,2,4,6-8,10-12H2,1H3,(H,25,26)/t13-,14+,15-/m0/s1
InChI Key LIAAVOSBXGBILZ-ZNMIVQPWSA-N
Canonical SMILES COC(=O)C1CCCN1C(=O)C2CC(CCN2C(=O)COCC(=O)O)NS(=O)(=O)C3=CC=CS3
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Other Names D-Proline, 1-[[(2S,4S)-1-[2-(carboxymethoxy)acetyl]-4-[(2-thienylsulfonyl)amino]-2-piperidinyl]carbonyl]-, methyl ester;
NAT7-262146

In Other Databases

ChemSpider 5460375
PubChem 7114655