[1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl] 2-[(2-azanyl-3-phenyl-propanoyl)-ethanoyl-amino]-4-methyl-pentanoate

Systemtic Name: [1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl] 2-[(2-azanyl-3-phenyl-propanoyl)-ethanoyl-amino]-4-methyl-pentanoate Openeye Name: (1,1-dioxo-2,3-dihydrobenzothiophen-3-yl) 2-[acetyl-(2-amino-3-phenyl-propanoyl)amino]-4-methyl-pentanoate CAS Name: 2-[acetyl-(2-amino-1-oxo-3-phenylpropyl)amino]-4-methylpentanoic acid (1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl) ester IUPAC Name: (1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl) 2-[acetyl-(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoate Traditional Name: 2-[acetyl(phenylalanyl)amino]-4-methyl-valeric acid (1,1-diketo-2,3-dihydrobenzothiophen-3-yl) ester Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC1CS(=O)(=O)C2=CC=CC=C12)N(C(=O)C)C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CC(C)CC(C(=O)OC1CS(=O)(=O)C2=CC=CC=C12)N(C(=O)C)C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C25H30N2O6S/c1-16(2)13-21(25(30)33-22-15-34(31,32)23-12-8-7-11-19(22)23)27(17(3)28)24(29)20(26)14-18-9-5-4-6-10-18/h4-12,16,20-22H,13-15,26H2,1-3H3