sodium (2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-(3-phenylpropanoylamino)hexanoate

Systemtic Name: sodium (2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-(3-phenylpropanoylamino)hexanoate Openeye Name: sodium (2S)-2-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-(3-phenylpropanoylamino)hexanoate CAS Name: sodium (2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-[(1-oxo-3-phenylpropyl)amino]hexanoate IUPAC Name: sodium (2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-(3-phenylpropanoylamino)hexanoate Traditional Name: sodium (2S)-6-(hydrocinnamoylamino)-2-[isobutyl(sulfanilyl)amino]hexanoate Formula: C25H34N3NaO5S MolecularWeight: 511.60933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(CCCCNC(=O)CCC1=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)CCC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)N.[Na+]

InChI

InChI=1S/C25H35N3O5S.Na/c1-19(2)18-28(34(32,33)22-14-12-21(26)13-15-22)23(25(30)31)10-6-7-17-27-24(29)16-11-20-8-4-3-5-9-20;/h3-5,8-9,12-15,19,23H,6-7,10-11,16-18,26H2,1-2H3,(H,27,29)(H,30,31);/q;+1/p-1/t23-;/m0./s1