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(2S)-2-acetamido-N-(1-adamantyl)-3-phenylsulfanyl-propanamide

(2S)-2-acetamido-N-(1-adamantyl)-3-phenylsulfanyl-propanamide

Systemtic Name:(2S)-2-acetamido-N-(1-adamantyl)-3-phenylsulfanyl-propanamide
Openeye Name:(2S)-2-acetamido-N-(1-adamantyl)-3-phenylsulfanyl-propanamide
CAS Name:(2S)-2-acetamido-N-(1-adamantyl)-3-(phenylthio)propanamide
IUPAC Name:(2S)-2-acetamido-N-(1-adamantyl)-3-phenylsulfanylpropanamide
Traditional Name:(2S)-2-acetamido-N-(1-adamantyl)-3-(phenylthio)propionamide
Formula: C21H28N2O2S
MolecularWeight: 372.52422
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC=C1)C(=O)NC23CC4CC(C2)CC(C4)C3


Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=CC=C1)C(=O)NC23CC4CC(C2)CC(C4)C3


InChI

InChI=1S/C21H28N2O2S/c1-14(24)22-19(13-26-18-5-3-2-4-6-18)20(25)23-21-10-15-7-16(11-21)9-17(8-15)12-21/h2-6,15-17,19H,7-13H2,1H3,(H,22,24)(H,23,25)/t15?,16?,17?,19-,21?/m1/s1


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