tert-butyl 4-[cyclopropyl(3-phenylmethoxypropyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoate

Systemtic Name: tert-butyl 4-[cyclopropyl(3-phenylmethoxypropyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoate Openeye Name: tert-butyl 4-[3-benzyloxypropyl(cyclopropyl)amino]-3-(2-naphthylsulfonylamino)-4-oxo-butanoate CAS Name: 4-[cyclopropyl(3-phenylmethoxypropyl)amino]-3-(2-naphthalenylsulfonylamino)-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[cyclopropyl(3-phenylmethoxypropyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxobutanoate Traditional Name: 4-[3-benzoxypropyl(cyclopropyl)amino]-4-keto-3-(2-naphthylsulfonylamino)butyric acid tert-butyl ester Formula: C31H38N2O6S MolecularWeight: 566.70822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=O)N(CCCOCC1=CC=CC=C1)C2CC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)(C)OC(=O)CC(C(=O)N(CCCOCC1=CC=CC=C1)C2CC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C31H38N2O6S/c1-31(2,3)39-29(34)21-28(32-40(36,37)27-17-14-24-12-7-8-13-25(24)20-27)30(35)33(26-15-16-26)18-9-19-38-22-23-10-5-4-6-11-23/h4-8,10-14,17,20,26,28,32H,9,15-16,18-19,21-22H2,1-3H3