N-[1-(4-azanylbutylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-3-naphthalen-2-yl-2-(3-phenylpropanoylamino)propanamide

Systemtic Name: N-[1-(4-azanylbutylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-3-naphthalen-2-yl-2-(3-phenylpropanoylamino)propanamide Openeye Name: N-[2-(4-aminobutylamino)-1-(2-naphthylmethyl)-2-oxo-ethyl]-3-(2-naphthyl)-2-(3-phenylpropanoylamino)propanamide CAS Name: N-[1-(4-aminobutylamino)-3-(2-naphthalenyl)-1-oxopropan-2-yl]-3-(2-naphthalenyl)-2-[(1-oxo-3-phenylpropyl)amino]propanamide IUPAC Name: N-[1-(4-aminobutylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-naphthalen-2-yl-2-(3-phenylpropanoylamino)propanamide Traditional Name: N-[2-(4-aminobutylamino)-2-keto-1-(2-naphthylmethyl)ethyl]-2-(hydrocinnamoylamino)-3-(2-naphthyl)propionamide Formula: C39H42N4O3 MolecularWeight: 614.77578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)NCCCCN

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)NCCCCN

InChI

InChI=1S/C39H42N4O3/c40-22-8-9-23-41-38(45)35(26-29-16-19-31-12-4-6-14-33(31)24-29)43-39(46)36(42-37(44)21-18-28-10-2-1-3-11-28)27-30-17-20-32-13-5-7-15-34(32)25-30/h1-7,10-17,19-20,24-25,35-36H,8-9,18,21-23,26-27,40H2,(H,41,45)(H,42,44)(H,43,46)