N-[(1R,5R,6R)-3-{[(2S)-1-Amino-4-(methylsulfonyl)-1-oxo-2-butanyl]carbamoyl}-5,6-dihydroxy-2-cyclohexen-1-yl]-D-prolinamide

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Systematic / IUPAC Name: (2R)-N-[(1R,5R,6R)-3-[[(2S)-1-Amino-4-methylsulfonyl-1-oxobutan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrrolidine-2-carboxamide

ID: Reference12834

Other Names: NAT2-17469

Formula: C17H28N4O7S

Spectral Data

N-[(1R,5R,6R)-3-{[(2S)-1-Amino-4-(methylsulfonyl)-1-oxo-2-butanyl]carbamoyl}-5,6-dihydroxy-2-cyclohexen-1-yl]-D-prolinamide 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 1968
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/23/2023 9:59:36 AM
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Identificators

InChI InChI=1S/C17H28N4O7S/c1-29(27,28)6-4-10(15(18)24)20-16(25)9-7-12(14(23)13(22)8-9)21-17(26)11-3-2-5-19-11/h7,10-14,19,22-23H,2-6,8H2,1H3,(H2,18,24)(H,20,25)(H,21,26)/t10-,11+,12+,13+,14+/m0/s1
InChI Key LDCRZKYJCUGBPC-RYMFRWLXSA-N
Canonical SMILES CS(=O)(=O)CCC(C(=O)N)NC(=O)C1=CC(C(C(C1)O)O)NC(=O)C2CCCN2
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Other Names NAT2-17469

In Other Databases

ChemSpider 5471714
PubChem 7127914