(2S)-5-oxidanylidene-5-phenylmethoxy-2-[6-(phenylmethylsulfanyl)hexylamino]pentanoic acid

Systemtic Name: (2S)-5-oxidanylidene-5-phenylmethoxy-2-[6-(phenylmethylsulfanyl)hexylamino]pentanoic acid Openeye Name: (2S)-5-benzyloxy-2-(6-benzylsulfanylhexylamino)-5-oxo-pentanoic acid CAS Name: (2S)-5-oxo-5-phenylmethoxy-2-[6-(phenylmethylthio)hexylamino]pentanoic acid IUPAC Name: (2S)-2-(6-benzylsulfanylhexylamino)-5-oxo-5-phenylmethoxypentanoic acid Traditional Name: (2S)-5-benzoxy-2-[6-(benzylthio)hexylamino]-5-keto-valeric acid Formula: C25H33NO4S MolecularWeight: 443.59882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCC(C(=O)O)NCCCCCCSCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC[C@@H](C(=O)O)NCCCCCCSCC2=CC=CC=C2

InChI

InChI=1S/C25H33NO4S/c27-24(30-19-21-11-5-3-6-12-21)16-15-23(25(28)29)26-17-9-1-2-10-18-31-20-22-13-7-4-8-14-22/h3-8,11-14,23,26H,1-2,9-10,15-20H2,(H,28,29)/t23-/m0/s1