6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-8-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-octanoic acid

Systemtic Name: 6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-8-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-octanoic acid Openeye Name: 6-(2-amino-2-oxo-ethyl)sulfanyl-8-(2-anilino-2-oxo-ethyl)sulfanyl-octanoic acid CAS Name: 6-[(2-amino-2-oxoethyl)thio]-8-[(2-anilino-2-oxoethyl)thio]octanoic acid IUPAC Name: 6-(2-amino-2-oxoethyl)sulfanyl-8-(2-anilino-2-oxoethyl)sulfanyloctanoic acid Traditional Name: 6-[(2-amino-2-keto-ethyl)thio]-8-[(2-anilino-2-keto-ethyl)thio]caprylic acid Formula: C18H26N2O4S2 MolecularWeight: 398.54004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSCCC(CCCCC(=O)O)SCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSCCC(CCCCC(=O)O)SCC(=O)N

InChI

InChI=1S/C18H26N2O4S2/c19-16(21)12-26-15(8-4-5-9-18(23)24)10-11-25-13-17(22)20-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H2,19,21)(H,20,22)(H,23,24)