2-[2-azanyl-2-ethanoylsulfanyl-1,5-bis(oxidanylidene)-3-phenyl-3-(3-phenylpropyl)-1,4-thiazepan-4-yl]ethanoic acid

Systemtic Name: 2-[2-azanyl-2-ethanoylsulfanyl-1,5-bis(oxidanylidene)-3-phenyl-3-(3-phenylpropyl)-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[2-acetylsulfanyl-2-amino-1,5-dioxo-3-phenyl-3-(3-phenylpropyl)-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[2-(acetylthio)-2-amino-1,5-dioxo-3-phenyl-3-(3-phenylpropyl)-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[2-acetylsulfanyl-2-amino-1,5-dioxo-3-phenyl-3-(3-phenylpropyl)-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[2-(acetylthio)-2-amino-1,5-diketo-3-phenyl-3-(3-phenylpropyl)-1,4-thiazepan-4-yl]acetic acid Formula: C24H28N2O5S2 MolecularWeight: 488.61952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1(C(N(C(=O)CCS1=O)CC(=O)O)(CCCC2=CC=CC=C2)C3=CC=CC=C3)N

Isomeric SMILES

CC(=O)SC1(C(N(C(=O)CCS1=O)CC(=O)O)(CCCC2=CC=CC=C2)C3=CC=CC=C3)N

InChI

InChI=1S/C24H28N2O5S2/c1-18(27)32-24(25)23(20-12-6-3-7-13-20,15-8-11-19-9-4-2-5-10-19)26(17-22(29)30)21(28)14-16-33(24)31/h2-7,9-10,12-13H,8,11,14-17,25H2,1H3,(H,29,30)