2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-N-phenethyl-N-(phenylmethyl)pentanamide

Systemtic Name: 2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-N-phenethyl-N-(phenylmethyl)pentanamide Openeye Name: 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-benzyl-4-methyl-N-phenethyl-pentanamide CAS Name: 2-[[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-methyl-N-phenethyl-N-(phenylmethyl)pentanamide IUPAC Name: 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-benzyl-4-methyl-N-phenethylpentanamide Traditional Name: 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-benzyl-4-methyl-N-phenethyl-valeramide Formula: C27H35N5O2 MolecularWeight: 461.5991

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(CCC1=CC=CC=C1)CC2=CC=CC=C2)NC(=O)C(CC3=CN=CN3)N

Isomeric SMILES

CC(C)CC(C(=O)N(CCC1=CC=CC=C1)CC2=CC=CC=C2)NC(=O)C(CC3=CN=CN3)N

InChI

InChI=1S/C27H35N5O2/c1-20(2)15-25(31-26(33)24(28)16-23-17-29-19-30-23)27(34)32(18-22-11-7-4-8-12-22)14-13-21-9-5-3-6-10-21/h3-12,17,19-20,24-25H,13-16,18,28H2,1-2H3,(H,29,30)(H,31,33)