4-(4-azanyl-4-phenyl-butanoyl)-N-tert-butyl-5-oxidanyl-4-[2-(2-pyridin-3-yloxyethanoylamino)butanethioyl]pyrrolidine-3-carboxamide

Systemtic Name: 4-(4-azanyl-4-phenyl-butanoyl)-N-tert-butyl-5-oxidanyl-4-[2-(2-pyridin-3-yloxyethanoylamino)butanethioyl]pyrrolidine-3-carboxamide Openeye Name: 4-(4-amino-4-phenyl-butanoyl)-N-tert-butyl-5-hydroxy-4-[2-[[2-(3-pyridyloxy)acetyl]amino]butanethioyl]pyrrolidine-3-carboxamide CAS Name: 4-(4-amino-1-oxo-4-phenylbutyl)-N-tert-butyl-5-hydroxy-4-[2-[[1-oxo-2-(3-pyridinyloxy)ethyl]amino]-1-sulfanylidenebutyl]-3-pyrrolidinecarboxamide IUPAC Name: 4-(4-amino-4-phenylbutanoyl)-N-tert-butyl-5-hydroxy-4-[2-[(2-pyridin-3-yloxyacetyl)amino]butanethioyl]pyrrolidine-3-carboxamide Traditional Name: 4-(4-amino-4-phenyl-butanoyl)-N-tert-butyl-5-hydroxy-4-[2-[[2-(3-pyridyloxy)acetyl]amino]butanethioyl]pyrrolidine-3-carboxamide Formula: C30H41N5O5S MolecularWeight: 583.74204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=S)C1(C(CNC1O)C(=O)NC(C)(C)C)C(=O)CCC(C2=CC=CC=C2)N)NC(=O)COC3=CN=CC=C3

Isomeric SMILES

CCC(C(=S)C1(C(CNC1O)C(=O)NC(C)(C)C)C(=O)CCC(C2=CC=CC=C2)N)NC(=O)COC3=CN=CC=C3

InChI

InChI=1S/C30H41N5O5S/c1-5-23(34-25(37)18-40-20-12-9-15-32-16-20)26(41)30(21(17-33-28(30)39)27(38)35-29(2,3)4)24(36)14-13-22(31)19-10-7-6-8-11-19/h6-12,15-16,21-23,28,33,39H,5,13-14,17-18,31H2,1-4H3,(H,34,37)(H,35,38)