1-[2-(2-azanylethanoylamino)propanoyl]-3-(1-azanylisoquinolin-7-yl)carbonyl-2-naphthalen-2-yl-3-phenyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(2-azanylethanoylamino)propanoyl]-3-(1-azanylisoquinolin-7-yl)carbonyl-2-naphthalen-2-yl-3-phenyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(2-aminoacetyl)amino]propanoyl]-3-(1-aminoisoquinoline-7-carbonyl)-2-(2-naphthyl)-3-phenyl-pyrrolidine-2-carboxylic acid CAS Name: 3-[(1-amino-7-isoquinolinyl)-oxomethyl]-1-[2-[(2-amino-1-oxoethyl)amino]-1-oxopropyl]-2-(2-naphthalenyl)-3-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(2-aminoacetyl)amino]propanoyl]-3-(1-aminoisoquinoline-7-carbonyl)-2-naphthalen-2-yl-3-phenylpyrrolidine-2-carboxylic acid Traditional Name: 3-(1-aminoisoquinoline-7-carbonyl)-1-[2-(glycylamino)propanoyl]-2-(2-naphthyl)-3-phenyl-proline Formula: C36H33N5O5 MolecularWeight: 615.67772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(C1(C2=CC3=CC=CC=C3C=C2)C(=O)O)(C4=CC=CC=C4)C(=O)C5=CC6=C(C=C5)C=CN=C6N)NC(=O)CN

Isomeric SMILES

CC(C(=O)N1CCC(C1(C2=CC3=CC=CC=C3C=C2)C(=O)O)(C4=CC=CC=C4)C(=O)C5=CC6=C(C=C5)C=CN=C6N)NC(=O)CN

InChI

InChI=1S/C36H33N5O5/c1-22(40-30(42)21-37)33(44)41-18-16-35(27-9-3-2-4-10-27,31(43)26-12-11-24-15-17-39-32(38)29(24)20-26)36(41,34(45)46)28-14-13-23-7-5-6-8-25(23)19-28/h2-15,17,19-20,22H,16,18,21,37H2,1H3,(H2,38,39)(H,40,42)(H,45,46)