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

Systemtic Name: sodium (2S)-6-[3-(3-aminophenyl)propanoylamino]-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]hexanoate Openeye Name: sodium (2S)-6-[3-(3-aminophenyl)propanoylamino]-2-[(4-aminophenyl)sulfonyl-isobutyl-amino]hexanoate CAS Name: sodium (2S)-6-[[3-(3-aminophenyl)-1-oxopropyl]amino]-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]hexanoate IUPAC Name: sodium (2S)-6-[3-(3-aminophenyl)propanoylamino]-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]hexanoate Traditional Name: sodium (2S)-6-[3-(3-aminophenyl)propanoylamino]-2-[isobutyl(sulfanilyl)amino]hexanoate Formula: C25H35N4NaO5S MolecularWeight: 526.62397

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H36N4O5S.Na/c1-18(2)17-29(35(33,34)22-12-10-20(26)11-13-22)23(25(31)32)8-3-4-15-28-24(30)14-9-19-6-5-7-21(27)16-19;/h5-7,10-13,16,18,23H,3-4,8-9,14-15,17,26-27H2,1-2H3,(H,28,30)(H,31,32);/q;+1/p-1/t23-;/m0./s1