(3R,4R,5R)-N-[(2S)-1-Amino-4-(methylsulfonyl)-1-oxo-2-butanyl]-4,5-dihydroxy-3-(D-valylamino)-1-cyclohexene-1-carboxamide

enlarge

Systematic / IUPAC Name: (3R,4R,5R)-3-[[(2R)-2-Amino-3-methylbutanoyl]amino]-N-[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]-4,5-dihydroxycyclohexene-1-carboxamide

ID: Reference12607

Other Names: NAT2-17411

Formula: C17H30N4O7S

Spectral Data

(3R,4R,5R)-N-[(2S)-1-Amino-4-(methylsulfonyl)-1-oxo-2-butanyl]-4,5-dihydroxy-3-(D-valylamino)-1-cyclohexene-1-carboxamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2799
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/23/2023 11:49:01 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C17H30N4O7S/c1-8(2)13(18)17(26)21-11-6-9(7-12(22)14(11)23)16(25)20-10(15(19)24)4-5-29(3,27)28/h6,8,10-14,22-23H,4-5,7,18H2,1-3H3,(H2,19,24)(H,20,25)(H,21,26)/t10-,11+,12+,13+,14+/m0/s1
InChI Key PBVLZKLEZAHMNO-RYMFRWLXSA-N
Canonical SMILES CC(C)C(C(=O)NC1C=C(CC(C1O)O)C(=O)NC(CCS(=O)(=O)C)C(=O)N)N
CAS
Splash
Other Names NAT2-17411

In Other Databases

ChemSpider 10056331
PubChem 11882003