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(3S)-4-naphthalen-2-ylsulfanyl-3-(octanoylamino)butanoic acid

(3S)-4-naphthalen-2-ylsulfanyl-3-(octanoylamino)butanoic acid

Systemtic Name:(3S)-4-naphthalen-2-ylsulfanyl-3-(octanoylamino)butanoic acid
Openeye Name:(3S)-4-(2-naphthylsulfanyl)-3-(octanoylamino)butanoic acid
CAS Name:(3S)-4-(2-naphthalenylthio)-3-(1-oxooctylamino)butanoic acid
IUPAC Name:(3S)-4-naphthalen-2-ylsulfanyl-3-(octanoylamino)butanoic acid
Traditional Name:(3S)-3-(caprylylamino)-4-(2-naphthylthio)butyric acid
Formula: C22H29NO3S
MolecularWeight: 387.53556
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(CC(=O)O)CSC1=CC2=CC=CC=C2C=C1


Isomeric SMILES

CCCCCCCC(=O)N[C@@H](CC(=O)O)CSC1=CC2=CC=CC=C2C=C1


InChI

InChI=1S/C22H29NO3S/c1-2-3-4-5-6-11-21(24)23-19(15-22(25)26)16-27-20-13-12-17-9-7-8-10-18(17)14-20/h7-10,12-14,19H,2-6,11,15-16H2,1H3,(H,23,24)(H,25,26)/t19-/m0/s1


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