N-(3-azanylpropyl)-2-[[3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)propanoyl]amino]-3-naphthalen-2-yl-propanamide

Systemtic Name: N-(3-azanylpropyl)-2-[[3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)propanoyl]amino]-3-naphthalen-2-yl-propanamide Openeye Name: N-(3-aminopropyl)-2-[[3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)propanoyl]amino]-3-(2-naphthyl)propanamide CAS Name: N-(3-aminopropyl)-2-[[3-(1H-indol-3-yl)-1-oxo-2-[(1-oxo-3-phenylpropyl)amino]propyl]amino]-3-(2-naphthalenyl)propanamide IUPAC Name: N-(3-aminopropyl)-2-[[3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)propanoyl]amino]-3-naphthalen-2-ylpropanamide Traditional Name: N-(3-aminopropyl)-2-[[2-(hydrocinnamoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(2-naphthyl)propionamide Formula: C36H39N5O3 MolecularWeight: 589.72656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)NCCCN

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)NCCCN

InChI

InChI=1S/C36H39N5O3/c37-19-8-20-38-35(43)32(22-26-15-17-27-11-4-5-12-28(27)21-26)41-36(44)33(23-29-24-39-31-14-7-6-13-30(29)31)40-34(42)18-16-25-9-2-1-3-10-25/h1-7,9-15,17,21,24,32-33,39H,8,16,18-20,22-23,37H2,(H,38,43)(H,40,42)(H,41,44)