[(3R,4S)-1-(Cyclohexylcarbamoyl)-3-{2-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl}-4-piperidinyl]acetic acid

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Systematic / IUPAC Name: 2-[(3R,4S)-1-(Cyclohexylcarbamoyl)-3-[2-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]piperidin-4-yl]acetic acid

ID: Reference12913

Other Names: NAT14-336098

Formula: C27H40N4O4

Spectral Data

[(3R,4S)-1-(Cyclohexylcarbamoyl)-3-{2-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl}-4-piperidinyl]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 825
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/1/2023 10:07:51 AM
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Identificators

InChI InChI=1S/C27H40N4O4/c32-25-8-4-7-24-22-13-19(16-31(24)25)15-29(17-22)11-9-21-18-30(12-10-20(21)14-26(33)34)27(35)28-23-5-2-1-3-6-23/h4,7-8,19-23H,1-3,5-6,9-18H2,(H,28,35)(H,33,34)/t19-,20-,21-,22+/m0/s1
InChI Key JVNLCFZTXCDOOR-MYGLTJDJSA-N
Canonical SMILES C1CCC(CC1)NC(=O)N2CCC(C(C2)CCN3CC4CC(C3)C5=CC=CC(=O)N5C4)CC(=O)O
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Other Names NAT14-336098

In Other Databases

PubChem 25312749
ChemSpider 21384403