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

Systemtic Name: 2-(butanoylamino)-3-methyl-4-oxidanylidene-2-[2-oxidanylidene-2-(phenethylamino)ethyl]-5-(phenethylsulfonylamino)pentanoic acid Openeye Name: 2-(butanoylamino)-3-methyl-4-oxo-2-[2-oxo-2-(phenethylamino)ethyl]-5-(phenethylsulfonylamino)pentanoic acid CAS Name: 3-methyl-4-oxo-2-(1-oxobutylamino)-2-[2-oxo-2-(phenethylamino)ethyl]-5-(phenethylsulfonylamino)pentanoic acid IUPAC Name: 2-(butanoylamino)-3-methyl-4-oxo-2-[2-oxo-2-(phenethylamino)ethyl]-5-(phenethylsulfonylamino)pentanoic acid Traditional Name: 2-butyramido-4-keto-2-[2-keto-2-(phenethylamino)ethyl]-3-methyl-5-(phenethylsulfonylamino)valeric acid Formula: C28H37N3O7S MolecularWeight: 559.67428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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