[(3R,4S)-1-(4-Methoxybenzoyl)-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-(4-Methoxybenzoyl)-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: Reference9453

Other Names: 4-Piperidineacetic acid, 1-(4-methoxybenzoyl)-3-[2-[(1R,5S)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl]-, (3R,4S)-;
NAT14-336079

Formula: C28H35N3O5

Spectral Data

[(3R,4S)-1-(4-Methoxybenzoyl)-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 1549
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 3/5/2020 11:53:27 AM
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Identificators

InChI InChI=1S/C28H35N3O5/c1-36-24-7-5-20(6-8-24)28(35)30-12-10-21(14-27(33)34)22(18-30)9-11-29-15-19-13-23(17-29)25-3-2-4-26(32)31(25)16-19/h2-8,19,21-23H,9-18H2,1H3,(H,33,34)/t19-,21-,22-,23+/m0/s1
InChI Key OBWQZBHZTXULDO-XXTHSBEZSA-N
Canonical SMILES COC1=CC=C(C=C1)C(=O)N2CCC(C(C2)CCN3CC4CC(C3)C5=CC=CC(=O)N5C4)CC(=O)O
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Other Names 4-Piperidineacetic acid, 1-(4-methoxybenzoyl)-3-[2-[(1R,5S)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl]-, (3R,4S)-;
NAT14-336079

In Other Databases

ChemSpider 21384393
PubChem 25312695