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

Systemtic Name: pyridin-3-ylmethyl (3S)-4-[1-benzofuran-5-ylmethyl(2-methylpropyl)amino]-3-(3,3-dimethylbutanoylamino)-4-oxidanylidene-butanoate Openeye Name: 3-pyridylmethyl (3S)-4-[benzofuran-5-ylmethyl(isobutyl)amino]-3-(3,3-dimethylbutanoylamino)-4-oxo-butanoate CAS Name: (3S)-4-[5-benzofuranylmethyl(2-methylpropyl)amino]-3-[(3,3-dimethyl-1-oxobutyl)amino]-4-oxobutanoic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl (3S)-4-[1-benzofuran-5-ylmethyl(2-methylpropyl)amino]-3-(3,3-dimethylbutanoylamino)-4-oxobutanoate Traditional Name: (3S)-4-[benzofuran-5-ylmethyl(isobutyl)amino]-3-(3,3-dimethylbutanoylamino)-4-keto-butyric acid 3-pyridylmethyl ester Formula: C29H37N3O5 MolecularWeight: 507.62118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC2=C(C=C1)OC=C2)C(=O)C(CC(=O)OCC3=CN=CC=C3)NC(=O)CC(C)(C)C

Isomeric SMILES

CC(C)CN(CC1=CC2=C(C=C1)OC=C2)C(=O)[C@H](CC(=O)OCC3=CN=CC=C3)NC(=O)CC(C)(C)C

InChI

InChI=1S/C29H37N3O5/c1-20(2)17-32(18-21-8-9-25-23(13-21)10-12-36-25)28(35)24(31-26(33)15-29(3,4)5)14-27(34)37-19-22-7-6-11-30-16-22/h6-13,16,20,24H,14-15,17-19H2,1-5H3,(H,31,33)/t24-/m0/s1