pyridin-3-ylmethyl (3S)-3-(1-benzofuran-5-ylsulfonylamino)-4-[bis(2-methylpropyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: pyridin-3-ylmethyl (3S)-3-(1-benzofuran-5-ylsulfonylamino)-4-[bis(2-methylpropyl)amino]-4-oxidanylidene-butanoate Openeye Name: 3-pyridylmethyl (3S)-3-(benzofuran-5-ylsulfonylamino)-4-(diisobutylamino)-4-oxo-butanoate CAS Name: (3S)-3-(5-benzofuranylsulfonylamino)-4-[bis(2-methylpropyl)amino]-4-oxobutanoic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl (3S)-3-(1-benzofuran-5-ylsulfonylamino)-4-[bis(2-methylpropyl)amino]-4-oxobutanoate Traditional Name: (3S)-3-(benzofuran-5-ylsulfonylamino)-4-(diisobutylamino)-4-keto-butyric acid 3-pyridylmethyl ester Formula: C26H33N3O6S MolecularWeight: 515.62172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=O)C(CC(=O)OCC1=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](CC(=O)OCC1=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(13-25(30)35-17-20-6-5-10-27-14-20)28-36(32,33)22-7-8-24-21(12-22)9-11-34-24/h5-12,14,18-19,23,28H,13,15-17H2,1-4H3/t23-/m0/s1