{1-[2-({[(1S,4S,6S)-6-Isopropyl-4-{[5-(methoxycarbonyl)-1H-benzimidazol-2-yl]methyl}-3-methyl-2-cyclohexen-1-yl]methyl}amino)-2-oxoethyl]cyclopentyl}acetic acid

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Systematic / IUPAC Name: 2-[1-[2-[[(1S,4S,6S)-4-[(6-Methoxycarbonyl-1H-benzimidazol-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]-2-oxoethyl]cyclopentyl]acetic acid

ID: Reference11847

Other Names: NAT28-553891

Formula: C30H41N3O5

Spectral Data

{1-[2-({[(1S,4S,6S)-6-Isopropyl-4-{[5-(methoxycarbonyl)-1H-benzimidazol-2-yl]methyl}-3-methyl-2-cyclohexen-1-yl]methyl}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 2275
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/14/2022 10:26:19 AM
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Identificators

InChI InChI=1S/C30H41N3O5/c1-18(2)23-12-21(14-26-32-24-8-7-20(29(37)38-4)13-25(24)33-26)19(3)11-22(23)17-31-27(34)15-30(16-28(35)36)9-5-6-10-30/h7-8,11,13,18,21-23H,5-6,9-10,12,14-17H2,1-4H3,(H,31,34)(H,32,33)(H,35,36)/t21-,22-,23-/m0/s1
InChI Key VKJOMQVTJJEOHN-VABKMULXSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NC3=C(N2)C=C(C=C3)C(=O)OC)C(C)C)CNC(=O)CC4(CCCC4)CC(=O)O
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Other Names NAT28-553891

In Other Databases

PubChem 71693207
ChemSpider 29849763