4-methyl-2-[[3-phenyl-2-[2-(2-phenylethanoylamino)ethanoylamino]propanoyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[3-phenyl-2-[2-(2-phenylethanoylamino)ethanoylamino]propanoyl]amino]pentanoic acid Openeye Name: 4-methyl-2-[[3-phenyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]propanoyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[1-oxo-2-[[1-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl]amino]-3-phenylpropyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[3-phenyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]propanoyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[3-phenyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]propanoyl]amino]valeric acid Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C25H31N3O5/c1-17(2)13-21(25(32)33)28-24(31)20(14-18-9-5-3-6-10-18)27-23(30)16-26-22(29)15-19-11-7-4-8-12-19/h3-12,17,20-21H,13-16H2,1-2H3,(H,26,29)(H,27,30)(H,28,31)(H,32,33)