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

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

ID: Reference12072

Other Names: NAT14-336070

Formula: C28H35N3O5

Spectral Data

[(3R,4S)-3-{2-[(1R,9S)-6-Oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl}-1-(phenoxyacetyl)-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 2282
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/20/2022 9:36:35 AM
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Identificators

InChI InChI=1S/C28H35N3O5/c32-26-8-4-7-25-23-13-20(16-31(25)26)15-29(17-23)11-9-22-18-30(12-10-21(22)14-28(34)35)27(33)19-36-24-5-2-1-3-6-24/h1-8,20-23H,9-19H2,(H,34,35)/t20-,21-,22-,23+/m0/s1
InChI Key NUTNJKDFYJSSGA-CWBXHPNXSA-N
Canonical SMILES C1CN(CC(C1CC(=O)O)CCN2CC3CC(C2)C4=CC=CC(=O)N4C3)C(=O)COC5=CC=CC=C5
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Other Names NAT14-336070

In Other Databases

ChemSpider 22806316
PubChem 28959825