sodium (2S)-2-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]-6-(2-phenylsulfanylethanoylamino)hexanoate

Systemtic Name: sodium (2S)-2-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]-6-(2-phenylsulfanylethanoylamino)hexanoate Openeye Name: sodium (2S)-2-[isobutyl-(4-nitrophenyl)sulfonyl-amino]-6-[(2-phenylsulfanylacetyl)amino]hexanoate CAS Name: sodium (2S)-2-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-6-[[1-oxo-2-(phenylthio)ethyl]amino]hexanoate IUPAC Name: sodium (2S)-2-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-6-[(2-phenylsulfanylacetyl)amino]hexanoate Traditional Name: sodium (2S)-2-[isobutyl(nosyl)amino]-6-[[2-(phenylthio)acetyl]amino]hexanoate Formula: C24H30N3NaO7S2 MolecularWeight: 559.63067

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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-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O7S2.Na/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);/q;+1/p-1/t22-;/m0./s1