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

Systemtic Name: (phenylmethyl) (3S)-3-(1-benzofuran-5-ylsulfonylamino)-4-[bis(2-methylpropyl)amino]-4-oxidanylidene-butanoate Openeye Name: benzyl (3S)-3-(benzofuran-5-ylsulfonylamino)-4-(diisobutylamino)-4-oxo-butanoate CAS Name: (3S)-3-(5-benzofuranylsulfonylamino)-4-[bis(2-methylpropyl)amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (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 benzyl ester Formula: C27H34N2O6S MolecularWeight: 514.63366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=O)C(CC(=O)OCC1=CC=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=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC=C3

InChI

InChI=1S/C27H34N2O6S/c1-19(2)16-29(17-20(3)4)27(31)24(15-26(30)35-18-21-8-6-5-7-9-21)28-36(32,33)23-10-11-25-22(14-23)12-13-34-25/h5-14,19-20,24,28H,15-18H2,1-4H3/t24-/m0/s1