(1-{2-[({(1S,4S,6S)-6-Isopropyl-4-[(5-methoxy-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-Methoxy-1H-benzimidazol-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]-2-oxoethyl]cyclopentyl]acetic acid

ID: Reference11146

Other Names: NAT28-553869

Formula: C29H41N3O4

Spectral Data

(1-{2-[({(1S,4S,6S)-6-Isopropyl-4-[(5-methoxy-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 1656
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/20/2022 3:40:21 PM
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Identificators

InChI InChI=1S/C29H41N3O4/c1-18(2)23-12-20(13-26-31-24-8-7-22(36-4)14-25(24)32-26)19(3)11-21(23)17-30-27(33)15-29(16-28(34)35)9-5-6-10-29/h7-8,11,14,18,20-21,23H,5-6,9-10,12-13,15-17H2,1-4H3,(H,30,33)(H,31,32)(H,34,35)/t20-,21-,23-/m0/s1
InChI Key MTOMSZJVJGJEDF-FUDKSRODSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NC3=C(N2)C=C(C=C3)OC)C(C)C)CNC(=O)CC4(CCCC4)CC(=O)O
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Other Names NAT28-553869

In Other Databases

ChemSpider 29849753
PubChem 71693199