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(2S)-2-[2-(1-adamantylsulfanyl)ethanoylamino]-N-propyl-propanamide

Systemtic Name:	(2S)-2-[2-(1-adamantylsulfanyl)ethanoylamino]-N-propyl-propanamide
Openeye Name:	(2S)-2-[[2-(1-adamantylsulfanyl)acetyl]amino]-N-propyl-propanamide
CAS Name:	(2S)-2-[[2-(1-adamantylthio)-1-oxoethyl]amino]-N-propylpropanamide
IUPAC Name:	(2S)-2-[[2-(1-adamantylsulfanyl)acetyl]amino]-N-propylpropanamide
Traditional Name:	(2S)-2-[[2-(1-adamantylthio)acetyl]amino]-N-propyl-propionamide
Formula:	C₁₈H₃₀N₂O₂S
MolecularWeight:	338.508

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)CSC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)CSC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C18H30N2O2S/c1-3-4-19-17(22)12(2)20-16(21)11-23-18-8-13-5-14(9-18)7-15(6-13)10-18/h12-15H,3-11H2,1-2H3,(H,19,22)(H,20,21)/t12-,13?,14?,15?,18?/m0/s1

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