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(2S)-2-(1-adamantylsulfanyl)-N-[(phenylmethyl)carbamoyl]propanamide

(2S)-2-(1-adamantylsulfanyl)-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name:(2S)-2-(1-adamantylsulfanyl)-N-[(phenylmethyl)carbamoyl]propanamide
Openeye Name:(2S)-2-(1-adamantylsulfanyl)-N-(benzylcarbamoyl)propanamide
CAS Name:(2S)-2-(1-adamantylthio)-N-[oxo-[(phenylmethyl)amino]methyl]propanamide
IUPAC Name:(2S)-2-(1-adamantylsulfanyl)-N-(benzylcarbamoyl)propanamide
Traditional Name:(2S)-2-(1-adamantylthio)-N-(benzylcarbamoyl)propionamide
Formula: C21H28N2O2S
MolecularWeight: 372.52422
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)SC23CC4CC(C2)CC(C4)C3


Isomeric SMILES

C[C@@H](C(=O)NC(=O)NCC1=CC=CC=C1)SC23CC4CC(C2)CC(C4)C3


InChI

InChI=1S/C21H28N2O2S/c1-14(19(24)23-20(25)22-13-15-5-3-2-4-6-15)26-21-10-16-7-17(11-21)9-18(8-16)12-21/h2-6,14,16-18H,7-13H2,1H3,(H2,22,23,24,25)/t14-,16?,17?,18?,21?/m0/s1


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