N-(2-azanyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-1-[3-cyclohexyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-1-[3-cyclohexyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-1-[2-(benzylsulfonylamino)-3-cyclohexyl-propanoyl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-1-[3-cyclohexyl-1-oxo-2-[(phenylmethyl)sulfonylamino]propyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-1-[2-(benzylsulfonylamino)-3-cyclohexylpropanoyl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-1-[2-(benzylsulfonylamino)-3-cyclohexyl-propanoyl]pyrrolidine-2-carboxamide Formula: C28H39N5O4S2 MolecularWeight: 573.77036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N2CCCC2C(=O)NC3CCC4=C(C3)SC(=N4)N)NS(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)CC(C(=O)N2CCCC2C(=O)NC3CCC4=C(C3)SC(=N4)N)NS(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C28H39N5O4S2/c29-28-31-22-14-13-21(17-25(22)38-28)30-26(34)24-12-7-15-33(24)27(35)23(16-19-8-3-1-4-9-19)32-39(36,37)18-20-10-5-2-6-11-20/h2,5-6,10-11,19,21,23-24,32H,1,3-4,7-9,12-18H2,(H2,29,31)(H,30,34)