[(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[bis(2-methylpropyl)amino]-3-oxidanylidene-propyl] 2-pyridin-3-ylethanoate

Systemtic Name: [(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[bis(2-methylpropyl)amino]-3-oxidanylidene-propyl] 2-pyridin-3-ylethanoate Openeye Name: [(2S)-2-(benzofuran-5-ylsulfonylamino)-3-(diisobutylamino)-3-oxo-propyl] 2-(3-pyridyl)acetate CAS Name: 2-(3-pyridinyl)acetic acid [(2S)-2-(5-benzofuranylsulfonylamino)-3-[bis(2-methylpropyl)amino]-3-oxopropyl] ester IUPAC Name: [(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[bis(2-methylpropyl)amino]-3-oxopropyl] 2-pyridin-3-ylacetate Traditional Name: 2-(3-pyridyl)acetic acid [(2S)-2-(benzofuran-5-ylsulfonylamino)-3-(diisobutylamino)-3-keto-propyl] ester Formula: C26H33N3O6S MolecularWeight: 515.62172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=O)C(COC(=O)CC1=CN=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC=C3

Isomeric SMILES

CC(C)CN(CC(C)C)C(=O)[C@H](COC(=O)CC1=CN=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC=C3

InChI

InChI=1S/C26H33N3O6S/c1-18(2)15-29(16-19(3)4)26(31)23(17-35-25(30)12-20-6-5-10-27-14-20)28-36(32,33)22-7-8-24-21(13-22)9-11-34-24/h5-11,13-14,18-19,23,28H,12,15-17H2,1-4H3/t23-/m0/s1