5-azanyl-2-[2-azanylethanoyl(1-benzofuran-2-ylmethyl)amino]-N-(3-phenylpropyl)pentanamide

Systemtic Name: 5-azanyl-2-[2-azanylethanoyl(1-benzofuran-2-ylmethyl)amino]-N-(3-phenylpropyl)pentanamide Openeye Name: 5-amino-2-[(2-aminoacetyl)-(benzofuran-2-ylmethyl)amino]-N-(3-phenylpropyl)pentanamide CAS Name: 5-amino-2-[(2-amino-1-oxoethyl)-(2-benzofuranylmethyl)amino]-N-(3-phenylpropyl)pentanamide IUPAC Name: 5-amino-2-[(2-aminoacetyl)-(1-benzofuran-2-ylmethyl)amino]-N-(3-phenylpropyl)pentanamide Traditional Name: 5-amino-2-[benzofuran-2-ylmethyl(glycyl)amino]-N-(3-phenylpropyl)valeramide Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)C(CCCN)N(CC2=CC3=CC=CC=C3O2)C(=O)CN

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)C(CCCN)N(CC2=CC3=CC=CC=C3O2)C(=O)CN

InChI

InChI=1S/C25H32N4O3/c26-14-6-12-22(25(31)28-15-7-10-19-8-2-1-3-9-19)29(24(30)17-27)18-21-16-20-11-4-5-13-23(20)32-21/h1-5,8-9,11,13,16,22H,6-7,10,12,14-15,17-18,26-27H2,(H,28,31)