N-(2-azanyl-1,3-benzothiazol-6-yl)-1-[3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-1,3-benzothiazol-6-yl)-1-[3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-1,3-benzothiazol-6-yl)-1-[2-(benzylsulfonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-1,3-benzothiazol-6-yl)-1-[1-oxo-3-phenyl-2-[(phenylmethyl)sulfonylamino]propyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-1,3-benzothiazol-6-yl)-1-[2-(benzylsulfonylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-1,3-benzothiazol-6-yl)-1-[2-(benzylsulfonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Formula: C28H29N5O4S2 MolecularWeight: 563.69096

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)NS(=O)(=O)CC3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)N=C(S5)N

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)NS(=O)(=O)CC3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)N=C(S5)N

InChI

InChI=1S/C28H29N5O4S2/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/h1-6,8-11,13-14,17,23-24,32H,7,12,15-16,18H2,(H2,29,31)(H,30,34)