N-(2-azanyl-5,6,7,8-tetrahydroquinazolin-6-yl)-1-[3-cyclohexyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-5,6,7,8-tetrahydroquinazolin-6-yl)-1-[3-cyclohexyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-1-[2-(benzylsulfonylamino)-3-cyclohexyl-propanoyl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-1-[3-cyclohexyl-1-oxo-2-[(phenylmethyl)sulfonylamino]propyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-1-[2-(benzylsulfonylamino)-3-cyclohexylpropanoyl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-1-[2-(benzylsulfonylamino)-3-cyclohexyl-propanoyl]pyrrolidine-2-carboxamide Formula: C29H40N6O4S MolecularWeight: 568.7307

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N2CCCC2C(=O)NC3CCC4=NC(=NC=C4C3)N)NS(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)CC(C(=O)N2CCCC2C(=O)NC3CCC4=NC(=NC=C4C3)N)NS(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C29H40N6O4S/c30-29-31-18-22-17-23(13-14-24(22)33-29)32-27(36)26-12-7-15-35(26)28(37)25(16-20-8-3-1-4-9-20)34-40(38,39)19-21-10-5-2-6-11-21/h2,5-6,10-11,18,20,23,25-26,34H,1,3-4,7-9,12-17,19H2,(H,32,36)(H2,30,31,33)