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

ID: Reference11785

Other Names: NAT28-538618

Formula: C29H41N3O3

Spectral Data

(1-{2-[({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(1-methyl-1H-benzimidazol-2-yl)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 1709
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/23/2022 7:41:11 AM
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Identificators

InChI InChI=1S/C29H41N3O3/c1-19(2)23-14-21(15-26-31-24-9-5-6-10-25(24)32(26)4)20(3)13-22(23)18-30-27(33)16-29(17-28(34)35)11-7-8-12-29/h5-6,9-10,13,19,21-23H,7-8,11-12,14-18H2,1-4H3,(H,30,33)(H,34,35)/t21-,22-,23-/m0/s1
InChI Key YMRPSGLKDQJZBD-VABKMULXSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NC3=CC=CC=C3N2C)C(C)C)CNC(=O)CC4(CCCC4)CC(=O)O
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Other Names NAT28-538618

In Other Databases

ChemSpider 29849652
PubChem 71693122