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

Systemtic Name: potassium (2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-[3-(2-methoxyphenyl)propanoylamino]hexanoate Openeye Name: potassium (2S)-2-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-[3-(2-methoxyphenyl)propanoylamino]hexanoate CAS Name: potassium (2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-[[3-(2-methoxyphenyl)-1-oxopropyl]amino]hexanoate IUPAC Name: potassium (2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-[3-(2-methoxyphenyl)propanoylamino]hexanoate Traditional Name: potassium (2S)-2-[isobutyl(sulfanilyl)amino]-6-[3-(2-methoxyphenyl)propanoylamino]hexanoate Formula: C26H36KN3O6S MolecularWeight: 557.74384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(CCCCNC(=O)CCC1=CC=CC=C1OC)C(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)N.[K+]

Isomeric SMILES

CC(C)CN([C@@H](CCCCNC(=O)CCC1=CC=CC=C1OC)C(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)N.[K+]

InChI

InChI=1S/C26H37N3O6S.K/c1-19(2)18-29(36(33,34)22-14-12-21(27)13-15-22)23(26(31)32)9-6-7-17-28-25(30)16-11-20-8-4-5-10-24(20)35-3;/h4-5,8,10,12-15,19,23H,6-7,9,11,16-18,27H2,1-3H3,(H,28,30)(H,31,32);/q;+1/p-1/t23-;/m0./s1