sodium (2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-(2-phenoxyethanoylamino)hexanoate

Systemtic Name: sodium (2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-(2-phenoxyethanoylamino)hexanoate Openeye Name: sodium (2S)-2-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-[(2-phenoxyacetyl)amino]hexanoate CAS Name: sodium (2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-[(1-oxo-2-phenoxyethyl)amino]hexanoate IUPAC Name: sodium (2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-[(2-phenoxyacetyl)amino]hexanoate Traditional Name: sodium (2S)-2-[isobutyl(sulfanilyl)amino]-6-[(2-phenoxyacetyl)amino]hexanoate Formula: C24H32N3NaO6S MolecularWeight: 513.58215

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(CCCCNC(=O)COC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)N.[Na+]

Isomeric SMILES

CC(C)CN([C@@H](CCCCNC(=O)COC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)N.[Na+]

InChI

InChI=1S/C24H33N3O6S.Na/c1-18(2)16-27(34(31,32)21-13-11-19(25)12-14-21)22(24(29)30)10-6-7-15-26-23(28)17-33-20-8-4-3-5-9-20;/h3-5,8-9,11-14,18,22H,6-7,10,15-17,25H2,1-2H3,(H,26,28)(H,29,30);/q;+1/p-1/t22-;/m0./s1