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

Systemtic Name: 2-[[2-ethyl-4-oxidanylidene-4-(phenethylamino)butanoyl]amino]-3-methyl-4-oxidanylidene-5-(phenethylsulfonylamino)pentanoic acid Openeye Name: 2-[[2-ethyl-4-oxo-4-(phenethylamino)butanoyl]amino]-3-methyl-4-oxo-5-(phenethylsulfonylamino)pentanoic acid CAS Name: 2-[[2-ethyl-1,4-dioxo-4-(phenethylamino)butyl]amino]-3-methyl-4-oxo-5-(phenethylsulfonylamino)pentanoic acid IUPAC Name: 2-[[2-ethyl-4-oxo-4-(phenethylamino)butanoyl]amino]-3-methyl-4-oxo-5-(phenethylsulfonylamino)pentanoic acid Traditional Name: 2-[[2-ethyl-4-keto-4-(phenethylamino)butanoyl]amino]-4-keto-3-methyl-5-(phenethylsulfonylamino)valeric acid Formula: C28H37N3O7S MolecularWeight: 559.67428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37N3O7S/c1-3-23(18-25(33)29-16-14-21-10-6-4-7-11-21)27(34)31-26(28(35)36)20(2)24(32)19-30-39(37,38)17-15-22-12-8-5-9-13-22/h4-13,20,23,26,30H,3,14-19H2,1-2H3,(H,29,33)(H,31,34)(H,35,36)