4-(2-{[1-Amino-3-(4-methoxyphenyl)-1-oxo-2-propanyl]carbamoyl}-4-{[(methylsulfanyl)acetyl]amino}-1-piperidinyl)-4-oxobutanoic acid

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Systematic / IUPAC Name: 4-[2-[[1-Amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamoyl]-4-[(2-methylsulfanylacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid

ID: Reference10217

Other Names: 1-Piperidinebutanoic acid, 2-[[[2-amino-1-[(4-methoxyphenyl)methyl]-2-oxoethyl]amino]carbonyl]-4-[[2-(methylthio)acetyl]amino]-γ-oxo-;
NAT7-255909

Formula: C23H32N4O7S

Spectral Data

4-(2-{[1-Amino-3-(4-methoxyphenyl)-1-oxo-2-propanyl]carbamoyl}-4-{[(methylsulfanyl)acetyl]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 2
No. of Spectra 3591
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 1/29/2021 2:52:03 PM
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Identificators

InChI InChI=1S/C23H32N4O7S/c1-34-16-5-3-14(4-6-16)11-17(22(24)32)26-23(33)18-12-15(25-19(28)13-35-2)9-10-27(18)20(29)7-8-21(30)31/h3-6,15,17-18H,7-13H2,1-2H3,(H2,24,32)(H,25,28)(H,26,33)(H,30,31)
InChI Key HBHCRDVSXOVLGJ-UHFFFAOYSA-N
Canonical SMILES COC1=CC=C(C=C1)CC(C(=O)N)NC(=O)C2CC(CCN2C(=O)CCC(=O)O)NC(=O)CSC
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Other Names 1-Piperidinebutanoic acid, 2-[[[2-amino-1-[(4-methoxyphenyl)methyl]-2-oxoethyl]amino]carbonyl]-4-[[2-(methylthio)acetyl]amino]-γ-oxo-;
NAT7-255909

In Other Databases

PubChem 3728649
ChemSpider 2959174