(3S)-3-[[(E)-dec-3-enoyl]amino]-4-naphthalen-2-ylsulfanyl-butanoic acid

Systemtic Name: (3S)-3-[[(E)-dec-3-enoyl]amino]-4-naphthalen-2-ylsulfanyl-butanoic acid Openeye Name: (3S)-3-[[(E)-dec-3-enoyl]amino]-4-(2-naphthylsulfanyl)butanoic acid CAS Name: (3S)-4-(2-naphthalenylthio)-3-[[(E)-1-oxodec-3-enyl]amino]butanoic acid IUPAC Name: (3S)-3-[[(E)-dec-3-enoyl]amino]-4-naphthalen-2-ylsulfanylbutanoic acid Traditional Name: (3S)-3-[[(E)-dec-3-enoyl]amino]-4-(2-naphthylthio)butyric acid Formula: C24H31NO3S MolecularWeight: 413.57284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCC(=O)NC(CC(=O)O)CSC1=CC2=CC=CC=C2C=C1

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO3S/c1-2-3-4-5-6-7-8-13-23(26)25-21(17-24(27)28)18-29-22-15-14-19-11-9-10-12-20(19)16-22/h7-12,14-16,21H,2-6,13,17-18H2,1H3,(H,25,26)(H,27,28)/b8-7+/t21-/m0/s1