[1-(2-{[(1S,2R,3R,5S)-5-{[(2S)-1-Amino-1-oxo-3-(2-thienyl)-2-propanyl]carbamoyl}-2,3,5-trihydroxycyclohexyl]amino}-2-oxoethyl)cyclopentyl]acetic acid

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Systematic / IUPAC Name: 2-[1-[2-[[(1S,2R,3R,5S)-5-[[(2S)-1-Amino-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamoyl]-2,3,5-trihydroxycyclohexyl]amino]-2-oxoethyl]cyclopentyl]acetic acid

ID: Reference11409

Other Names: NAT2-252534

Formula: C23H33N3O8S

Spectral Data

[1-(2-{[(1S,2R,3R,5S)-5-{[(2S)-1-Amino-1-oxo-3-(2-thienyl)-2-propanyl]carbamoyl}-2,3,5-trihydroxycyclohexyl]amino}-2-oxoethyl)cyclopentyl]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 2713
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/25/2022 8:49:24 AM
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Identificators

InChI InChI=1S/C23H33N3O8S/c24-20(32)14(8-13-4-3-7-35-13)26-21(33)23(34)9-15(19(31)16(27)10-23)25-17(28)11-22(12-18(29)30)5-1-2-6-22/h3-4,7,14-16,19,27,31,34H,1-2,5-6,8-12H2,(H2,24,32)(H,25,28)(H,26,33)(H,29,30)/t14-,15-,16+,19+,23-/m0/s1
InChI Key CXHYZRIOBBEZRA-HCLAZUBHSA-N
Canonical SMILES C1CCC(C1)(CC(=O)NC2CC(CC(C2O)O)(C(=O)NC(CC3=CC=CS3)C(=O)N)O)CC(=O)O
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Other Names NAT2-252534

In Other Databases

ChemSpider 5477746
PubChem 7134491