3-[2-[[2-[(2-acetamido-3-phenyl-propanoyl)amino]-3-methyl-butanoyl]amino]propanoylamino]-3-cyano-propanoic acid

Systemtic Name: 3-[2-[[2-[(2-acetamido-3-phenyl-propanoyl)amino]-3-methyl-butanoyl]amino]propanoylamino]-3-cyano-propanoic acid Openeye Name: 3-[2-[[2-[(2-acetamido-3-phenyl-propanoyl)amino]-3-methyl-butanoyl]amino]propanoylamino]-3-cyano-propanoic acid CAS Name: 3-[[2-[[2-[(2-acetamido-1-oxo-3-phenylpropyl)amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-3-cyanopropanoic acid IUPAC Name: 3-[2-[[2-[(2-acetamido-3-phenylpropanoyl)amino]-3-methylbutanoyl]amino]propanoylamino]-3-cyanopropanoic acid Traditional Name: 3-[2-[[2-[(2-acetamido-3-phenyl-propanoyl)amino]-3-methyl-butanoyl]amino]propanoylamino]-3-cyano-propionic acid Formula: C23H31N5O6 MolecularWeight: 473.52214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C#N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C#N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C

InChI

InChI=1S/C23H31N5O6/c1-13(2)20(23(34)25-14(3)21(32)27-17(12-24)11-19(30)31)28-22(33)18(26-15(4)29)10-16-8-6-5-7-9-16/h5-9,13-14,17-18,20H,10-11H2,1-4H3,(H,25,34)(H,26,29)(H,27,32)(H,28,33)(H,30,31)