6-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-8-(phenylmethylsulfanyl)octanoic acid

Systemtic Name: 6-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-8-(phenylmethylsulfanyl)octanoic acid Openeye Name: 6-(3-amino-3-oxo-propyl)sulfanyl-8-benzylsulfanyl-octanoic acid CAS Name: 6-[(3-amino-3-oxopropyl)thio]-8-(phenylmethylthio)octanoic acid IUPAC Name: 6-(3-amino-3-oxopropyl)sulfanyl-8-benzylsulfanyloctanoic acid Traditional Name: 6-[(3-amino-3-keto-propyl)thio]-8-(benzylthio)caprylic acid Formula: C18H27NO3S2 MolecularWeight: 369.54188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCCC(=O)N

InChI

InChI=1S/C18H27NO3S2/c19-17(20)11-13-24-16(8-4-5-9-18(21)22)10-12-23-14-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H2,19,20)(H,21,22)