4-methylsulfanyl-2-[[4-[[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]methyl]-2-phenyl-phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[4-[[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]methyl]-2-phenyl-phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[4-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]-2-phenyl-benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-[[[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]methyl]-2-phenylphenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[4-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]-2-phenylbenzoyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-[(pyroglutamoylamino)methyl]benzoyl]amino]butyric acid Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CNC(=O)C2CCC(=O)N2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CNC(=O)C2CCC(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C24H27N3O5S/c1-33-12-11-20(24(31)32)27-22(29)17-8-7-15(13-18(17)16-5-3-2-4-6-16)14-25-23(30)19-9-10-21(28)26-19/h2-8,13,19-20H,9-12,14H2,1H3,(H,25,30)(H,26,28)(H,27,29)(H,31,32)