N-[(1S,2S,8S,8aS)-7-{(2S)-1-[(2-Chlorobenzyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]-5-pyrimidinecarboxamide

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Systematic / IUPAC Name: N-[(1S,2S,4aS,8S,8aS)-7-[(2S)-1-[(2-Chlorophenyl)methylamino]-1-oxopropan-2-yl]-8-hydroxy-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]pyrimidine-5-carboxamide

ID: Reference12136

Other Names: NAT5-397873

Formula: C27H35ClN4O3

Spectral Data

N-[(1S,2S,8S,8aS)-7-{(2S)-1-[(2-Chlorobenzyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]-5-pyrimidinecarboxamide 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 2660
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/16/2023 1:26:14 PM
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Identificators

InChI InChI=1S/C27H35ClN4O3/c1-16(25(34)31-14-18-6-4-5-7-21(18)28)20-8-10-27(3)11-9-22(17(2)23(27)24(20)33)32-26(35)19-12-29-15-30-13-19/h4-7,12-13,15-17,20,22-24,33H,8-11,14H2,1-3H3,(H,31,34)(H,32,35)/t16-,17+,20?,22-,23+,24-,27-/m0/s1
InChI Key UWYAEDXWSYYTRA-QZWOVEOJSA-N
Canonical SMILES CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=CC=C3Cl)O)C)NC(=O)C4=CN=CN=C4
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Other Names NAT5-397873

In Other Databases

PubChem 45361626
ChemSpider 22806092