3-azanyl-2-(2-isoquinolin-5-yloxyethanoylamino)-3-(3-methylbutanoyl)-1-(4-phenylbutanoyl)pyrrolidine-2-carboxamide

Systemtic Name: 3-azanyl-2-(2-isoquinolin-5-yloxyethanoylamino)-3-(3-methylbutanoyl)-1-(4-phenylbutanoyl)pyrrolidine-2-carboxamide Openeye Name: 3-amino-2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-(3-methylbutanoyl)-1-(4-phenylbutanoyl)pyrrolidine-2-carboxamide CAS Name: 3-amino-2-[[2-(5-isoquinolinyloxy)-1-oxoethyl]amino]-3-(3-methyl-1-oxobutyl)-1-(1-oxo-4-phenylbutyl)-2-pyrrolidinecarboxamide IUPAC Name: 3-amino-2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-(3-methylbutanoyl)-1-(4-phenylbutanoyl)pyrrolidine-2-carboxamide Traditional Name: 3-amino-2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-isovaleryl-1-(4-phenylbutanoyl)pyrrolidine-2-carboxamide Formula: C31H37N5O5 MolecularWeight: 559.65598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1(CCN(C1(C(=O)N)NC(=O)COC2=CC=CC3=C2C=CN=C3)C(=O)CCCC4=CC=CC=C4)N

Isomeric SMILES

CC(C)CC(=O)C1(CCN(C1(C(=O)N)NC(=O)COC2=CC=CC3=C2C=CN=C3)C(=O)CCCC4=CC=CC=C4)N

InChI

InChI=1S/C31H37N5O5/c1-21(2)18-26(37)30(33)15-17-36(28(39)13-6-10-22-8-4-3-5-9-22)31(30,29(32)40)35-27(38)20-41-25-12-7-11-23-19-34-16-14-24(23)25/h3-5,7-9,11-12,14,16,19,21H,6,10,13,15,17-18,20,33H2,1-2H3,(H2,32,40)(H,35,38)