2-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]-6-(2-phenylsulfanylethanoylamino)hexanoic acid

Systemtic Name: 2-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]-6-(2-phenylsulfanylethanoylamino)hexanoic acid Openeye Name: 2-[isobutyl-(4-nitrophenyl)sulfonyl-amino]-6-[(2-phenylsulfanylacetyl)amino]hexanoic acid CAS Name: 2-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-6-[[1-oxo-2-(phenylthio)ethyl]amino]hexanoic acid IUPAC Name: 2-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-6-[(2-phenylsulfanylacetyl)amino]hexanoic acid Traditional Name: 2-[isobutyl(nosyl)amino]-6-[[2-(phenylthio)acetyl]amino]hexanoic acid Formula: C24H31N3O7S2 MolecularWeight: 537.64884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(CCCCNC(=O)CSC1=CC=CC=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(C(CCCCNC(=O)CSC1=CC=CC=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C24H31N3O7S2/c1-18(2)16-26(36(33,34)21-13-11-19(12-14-21)27(31)32)22(24(29)30)10-6-7-15-25-23(28)17-35-20-8-4-3-5-9-20/h3-5,8-9,11-14,18,22H,6-7,10,15-17H2,1-2H3,(H,25,28)(H,29,30)