3-[2-[[3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]propanoylamino]-4-oxidanylidene-hexanoic acid

Systemtic Name: 3-[2-[[3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]propanoylamino]-4-oxidanylidene-hexanoic acid Openeye Name: 3-[2-[[3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]propanoylamino]-4-oxo-hexanoic acid CAS Name: 3-[[2-[[3-methyl-1-oxo-2-[(1-oxo-3-phenylpropyl)amino]butyl]amino]-1-oxopropyl]amino]-4-oxohexanoic acid IUPAC Name: 3-[2-[[3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]propanoylamino]-4-oxohexanoic acid Traditional Name: 3-[2-[[2-(hydrocinnamoylamino)-3-methyl-butanoyl]amino]propanoylamino]-4-keto-hexanoic acid Formula: C23H33N3O6 MolecularWeight: 447.52462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CCC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C23H33N3O6/c1-5-18(27)17(13-20(29)30)25-22(31)15(4)24-23(32)21(14(2)3)26-19(28)12-11-16-9-7-6-8-10-16/h6-10,14-15,17,21H,5,11-13H2,1-4H3,(H,24,32)(H,25,31)(H,26,28)(H,29,30)