potassium (2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-[3-(1H-indol-3-yl)propanoylamino]hexanoate

Systemtic Name: potassium (2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-[3-(1H-indol-3-yl)propanoylamino]hexanoate Openeye Name: potassium (2S)-2-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-[3-(1H-indol-3-yl)propanoylamino]hexanoate CAS Name: potassium (2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-[[3-(1H-indol-3-yl)-1-oxopropyl]amino]hexanoate IUPAC Name: potassium (2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-[3-(1H-indol-3-yl)propanoylamino]hexanoate Traditional Name: potassium (2S)-6-[3-(1H-indol-3-yl)propanoylamino]-2-[isobutyl(sulfanilyl)amino]hexanoate Formula: C27H35KN4O5S MolecularWeight: 566.7539

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(CCCCNC(=O)CCC1=CNC2=CC=CC=C21)C(=O)[O-])S(=O)(=O)C3=CC=C(C=C3)N.[K+]

Isomeric SMILES

CC(C)CN([C@@H](CCCCNC(=O)CCC1=CNC2=CC=CC=C21)C(=O)[O-])S(=O)(=O)C3=CC=C(C=C3)N.[K+]

InChI

InChI=1S/C27H36N4O5S.K/c1-19(2)18-31(37(35,36)22-13-11-21(28)12-14-22)25(27(33)34)9-5-6-16-29-26(32)15-10-20-17-30-24-8-4-3-7-23(20)24;/h3-4,7-8,11-14,17,19,25,30H,5-6,9-10,15-16,18,28H2,1-2H3,(H,29,32)(H,33,34);/q;+1/p-1/t25-;/m0./s1