[1-(2-{[(1S,2R,3R,5S)-5-{[(2S)-1-Amino-3-(4-methoxyphenyl)-1-oxo-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-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamoyl]-2,3,5-trihydroxycyclohexyl]amino]-2-oxoethyl]cyclopentyl]acetic acid

ID: Reference11410

Other Names: NAT2-252630

Formula: C26H37N3O9

Spectral Data

[1-(2-{[(1S,2R,3R,5S)-5-{[(2S)-1-Amino-3-(4-methoxyphenyl)-1-oxo-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 3137
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/25/2022 1:31:07 PM
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Identificators

InChI InChI=1S/C26H37N3O9/c1-38-16-6-4-15(5-7-16)10-17(23(27)35)29-24(36)26(37)11-18(22(34)19(30)12-26)28-20(31)13-25(14-21(32)33)8-2-3-9-25/h4-7,17-19,22,30,34,37H,2-3,8-14H2,1H3,(H2,27,35)(H,28,31)(H,29,36)(H,32,33)/t17-,18-,19+,22+,26-/m0/s1
InChI Key WQTNOCBEYPEYGC-HCFRXONDSA-N
Canonical SMILES COC1=CC=C(C=C1)CC(C(=O)N)NC(=O)C2(CC(C(C(C2)O)O)NC(=O)CC3(CCCC3)CC(=O)O)O
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Other Names NAT2-252630

In Other Databases

ChemSpider 5477766
PubChem 7134523