3-[[2-methyl-4-oxidanylidene-4-(phenethylamino)butanoyl]amino]-4-oxidanylidene-5-(phenethylsulfonylamino)pentanoic acid

Systemtic Name: 3-[[2-methyl-4-oxidanylidene-4-(phenethylamino)butanoyl]amino]-4-oxidanylidene-5-(phenethylsulfonylamino)pentanoic acid Openeye Name: 3-[[2-methyl-4-oxo-4-(phenethylamino)butanoyl]amino]-4-oxo-5-(phenethylsulfonylamino)pentanoic acid CAS Name: 3-[[2-methyl-1,4-dioxo-4-(phenethylamino)butyl]amino]-4-oxo-5-(phenethylsulfonylamino)pentanoic acid IUPAC Name: 3-[[2-methyl-4-oxo-4-(phenethylamino)butanoyl]amino]-4-oxo-5-(phenethylsulfonylamino)pentanoic acid Traditional Name: 4-keto-3-[[4-keto-2-methyl-4-(phenethylamino)butanoyl]amino]-5-(phenethylsulfonylamino)valeric acid Formula: C26H33N3O7S MolecularWeight: 531.62112

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NCCC1=CC=CC=C1)C(=O)NC(CC(=O)O)C(=O)CNS(=O)(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(CC(=O)NCCC1=CC=CC=C1)C(=O)NC(CC(=O)O)C(=O)CNS(=O)(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C26H33N3O7S/c1-19(16-24(31)27-14-12-20-8-4-2-5-9-20)26(34)29-22(17-25(32)33)23(30)18-28-37(35,36)15-13-21-10-6-3-7-11-21/h2-11,19,22,28H,12-18H2,1H3,(H,27,31)(H,29,34)(H,32,33)