Nα-{[(1S,3R,4R,5S)-1,3,4-trihydroxy-5-{[(phenylsulfonyl)acetyl]amino}cyclohexyl]carbonyl}-D-phenylalaninamide

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Systematic / IUPAC Name: (1S,3S,4R,5R)-N-[(2R)-1-Amino-1-oxo-3-phenylpropan-2-yl]-3-[[2-(benzenesulfonyl)acetyl]amino]-1,4,5-trihydroxycyclohexane-1-carboxamide

ID: Reference8926

Other Names: Benzenepropanamide, α-[[[(1S,3R,4R,5S)-1,3,4-trihydroxy-5-[[2-(phenylsulfonyl)acetyl]amino]cyclohexyl]carbonyl]amino]-, (α)-;
NAT2-252547

Formula: C24H29N3O8S

Spectral Data

Nα-{[(1S,3R,4R,5S)-1,3,4-trihydroxy-5-{[(phenylsulfonyl)acetyl]amino}cyclohexyl]carbonyl}-D-phenylalaninamide 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 FAIMS
No. of Spectral Trees 1
No. of Spectra 2776
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 9/18/2019 12:45:40 PM
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Identificators

InChI InChI=1S/C24H29N3O8S/c25-22(31)17(11-15-7-3-1-4-8-15)27-23(32)24(33)12-18(21(30)19(28)13-24)26-20(29)14-36(34,35)16-9-5-2-6-10-16/h1-10,17-19,21,28,30,33H,11-14H2,(H2,25,31)(H,26,29)(H,27,32)/t17-,18+,19-,21-,24+/m1/s1
InChI Key WTWJULXZZPLLOS-XINAXCJHSA-N
Canonical SMILES C1C(C(C(CC1(C(=O)NC(CC2=CC=CC=C2)C(=O)N)O)O)O)NC(=O)CS(=O)(=O)C3=CC=CC=C3
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Other Names Benzenepropanamide, α-[[[(1S,3R,4R,5S)-1,3,4-trihydroxy-5-[[2-(phenylsulfonyl)acetyl]amino]cyclohexyl]carbonyl]amino]-, (α)-;
NAT2-252547

In Other Databases

PubChem 7134496
ChemSpider 5477750