(2S)-2-[5-(1,2-dithiolan-3-yl)pentanoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[5-(1,2-dithiolan-3-yl)pentanoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[5-(dithiolan-3-yl)pentanoylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[5-(3-dithiolanyl)-1-oxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[5-(dithiolan-3-yl)pentanoylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[5-(dithiolan-3-yl)pentanoylamino]-3-phenyl-propionic acid Formula: C17H23NO3S2 MolecularWeight: 353.49942

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCC(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CSSC1CCCCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H23NO3S2/c19-16(9-5-4-8-14-10-11-22-23-14)18-15(17(20)21)12-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2,(H,18,19)(H,20,21)/t14?,15-/m0/s1