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

Systemtic Name: cesium (2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-[3-(3-methoxyphenyl)propanoylamino]hexanoate Openeye Name: cesium (2S)-2-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-[3-(3-methoxyphenyl)propanoylamino]hexanoate CAS Name: cesium (2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-[[3-(3-methoxyphenyl)-1-oxopropyl]amino]hexanoate IUPAC Name: cesium (2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-[3-(3-methoxyphenyl)propanoylamino]hexanoate Traditional Name: cesium (2S)-2-[isobutyl(sulfanilyl)amino]-6-[3-(3-methoxyphenyl)propanoylamino]hexanoate Formula: C26H36CsN3O6S MolecularWeight: 651.55099

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CN([C@@H](CCCCNC(=O)CCC1=CC(=CC=C1)OC)C(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)N.[Cs+]

InChI

InChI=1S/C26H37N3O6S.Cs/c1-19(2)18-29(36(33,34)23-13-11-21(27)12-14-23)24(26(31)32)9-4-5-16-28-25(30)15-10-20-7-6-8-22(17-20)35-3;/h6-8,11-14,17,19,24H,4-5,9-10,15-16,18,27H2,1-3H3,(H,28,30)(H,31,32);/q;+1/p-1/t24-;/m0./s1