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(2S)-N-(4-acetamidophenyl)-2-(1-adamantylsulfanyl)propanamide

(2S)-N-(4-acetamidophenyl)-2-(1-adamantylsulfanyl)propanamide

Systemtic Name:(2S)-N-(4-acetamidophenyl)-2-(1-adamantylsulfanyl)propanamide
Openeye Name:(2S)-N-(4-acetamidophenyl)-2-(1-adamantylsulfanyl)propanamide
CAS Name:(2S)-N-(4-acetamidophenyl)-2-(1-adamantylthio)propanamide
IUPAC Name:(2S)-N-(4-acetamidophenyl)-2-(1-adamantylsulfanyl)propanamide
Traditional Name:(2S)-N-(4-acetamidophenyl)-2-(1-adamantylthio)propionamide
Formula: C21H28N2O2S
MolecularWeight: 372.52422
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC23CC4CC(C2)CC(C4)C3


Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)NC(=O)C)SC23CC4CC(C2)CC(C4)C3


InChI

InChI=1S/C21H28N2O2S/c1-13(20(25)23-19-5-3-18(4-6-19)22-14(2)24)26-21-10-15-7-16(11-21)9-17(8-15)12-21/h3-6,13,15-17H,7-12H2,1-2H3,(H,22,24)(H,23,25)/t13-,15?,16?,17?,21?/m0/s1


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