methyl 1-(2-azanyl-2-cyclohexyl-ethanoyl)-4-[3-phenylmethoxypropyl(phenylsulfonyl)amino]pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-(2-azanyl-2-cyclohexyl-ethanoyl)-4-[3-phenylmethoxypropyl(phenylsulfonyl)amino]pyrrolidine-2-carboxylate Openeye Name: methyl 1-(2-amino-2-cyclohexyl-acetyl)-4-[benzenesulfonyl(3-benzyloxypropyl)amino]pyrrolidine-2-carboxylate CAS Name: 1-(2-amino-2-cyclohexyl-1-oxoethyl)-4-[benzenesulfonyl(3-phenylmethoxypropyl)amino]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-amino-2-cyclohexylacetyl)-4-[benzenesulfonyl(3-phenylmethoxypropyl)amino]pyrrolidine-2-carboxylate Traditional Name: 1-(2-amino-2-cyclohexyl-acetyl)-4-[3-benzoxypropyl(besyl)amino]pyrrolidine-2-carboxylic acid methyl ester Formula: C30H41N3O6S MolecularWeight: 571.72804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1C(=O)C(C2CCCCC2)N)N(CCCOCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CC(CN1C(=O)C(C2CCCCC2)N)N(CCCOCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H41N3O6S/c1-38-30(35)27-20-25(21-32(27)29(34)28(31)24-14-7-3-8-15-24)33(40(36,37)26-16-9-4-10-17-26)18-11-19-39-22-23-12-5-2-6-13-23/h2,4-6,9-10,12-13,16-17,24-25,27-28H,3,7-8,11,14-15,18-22,31H2,1H3