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

enlarge

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

ID: Reference8930

Other Names: Cyclopentaneacetic acid, 1-[2-[[5-[[[2-amino-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]-2,3,5-trihydroxycyclohexyl]amino]-2-oxoethyl]-;
NAT2-252558

Formula: C25H35N3O8

Spectral Data

{1-[2-({5-[(1-Amino-1-oxo-3-phenyl-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 3432
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 9/19/2019 10:08:58 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C25H35N3O8/c26-22(34)16(10-15-6-2-1-3-7-15)28-23(35)25(36)11-17(21(33)18(29)12-25)27-19(30)13-24(14-20(31)32)8-4-5-9-24/h1-3,6-7,16-18,21,29,33,36H,4-5,8-14H2,(H2,26,34)(H,27,30)(H,28,35)(H,31,32)
InChI Key BTEXTPXEYAOSKI-UHFFFAOYSA-N
Canonical SMILES C1CCC(C1)(CC(=O)NC2CC(CC(C2O)O)(C(=O)NC(CC3=CC=CC=C3)C(=O)N)O)CC(=O)O
CAS
Splash
Other Names Cyclopentaneacetic acid, 1-[2-[[5-[[[2-amino-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]-2,3,5-trihydroxycyclohexyl]amino]-2-oxoethyl]-;
NAT2-252558

In Other Databases

PubChem 3867227
ChemSpider 3092056