1-(4-azanyl-4-phenyl-butanoyl)-N-tert-butyl-3-[2-(2-isoquinolin-5-yloxyethanoylamino)-3-methyl-butanoyl]-2-oxidanyl-pyrrolidine-2-carboxamide

Systemtic Name: 1-(4-azanyl-4-phenyl-butanoyl)-N-tert-butyl-3-[2-(2-isoquinolin-5-yloxyethanoylamino)-3-methyl-butanoyl]-2-oxidanyl-pyrrolidine-2-carboxamide Openeye Name: 1-(4-amino-4-phenyl-butanoyl)-N-tert-butyl-2-hydroxy-3-[2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxamide CAS Name: 1-(4-amino-1-oxo-4-phenylbutyl)-N-tert-butyl-2-hydroxy-3-[2-[[2-(5-isoquinolinyloxy)-1-oxoethyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(4-amino-4-phenylbutanoyl)-N-tert-butyl-2-hydroxy-3-[2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide Traditional Name: 1-(4-amino-4-phenyl-butanoyl)-N-tert-butyl-2-hydroxy-3-[2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxamide Formula: C35H45N5O6 MolecularWeight: 631.7617

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1CCN(C1(C(=O)NC(C)(C)C)O)C(=O)CCC(C2=CC=CC=C2)N)NC(=O)COC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC(C)C(C(=O)C1CCN(C1(C(=O)NC(C)(C)C)O)C(=O)CCC(C2=CC=CC=C2)N)NC(=O)COC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C35H45N5O6/c1-22(2)31(38-29(41)21-46-28-13-9-12-24-20-37-18-16-25(24)28)32(43)26-17-19-40(35(26,45)33(44)39-34(3,4)5)30(42)15-14-27(36)23-10-7-6-8-11-23/h6-13,16,18,20,22,26-27,31,45H,14-15,17,19,21,36H2,1-5H3,(H,38,41)(H,39,44)