(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanoyl]amino]-3-naphthalen-1-yl-propanamide

Systemtic Name: (2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanoyl]amino]-3-naphthalen-1-yl-propanamide Openeye Name: (2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanoyl]amino]-3-(1-naphthyl)propanamide CAS Name: (2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-1-oxo-2-[(1-oxo-3-phenylpropyl)amino]propyl]amino]-3-(1-naphthalenyl)propanamide IUPAC Name: (2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanoyl]amino]-3-naphthalen-1-ylpropanamide Traditional Name: (2S)-2-[[(2S)-2-(hydrocinnamoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1-naphthyl)propionamide Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(CC2=CN=CN2)C(=O)NC(CC3=CC=CC4=CC=CC=C43)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC3=CC=CC4=CC=CC=C43)C(=O)N

InChI

InChI=1S/C28H29N5O3/c29-27(35)24(15-21-11-6-10-20-9-4-5-12-23(20)21)33-28(36)25(16-22-17-30-18-31-22)32-26(34)14-13-19-7-2-1-3-8-19/h1-12,17-18,24-25H,13-16H2,(H2,29,35)(H,30,31)(H,32,34)(H,33,36)/t24-,25-/m0/s1