potassium (2S)-2-[(4-bromophenyl)sulfonyl-(2-methylpropyl)amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate

Systemtic Name: potassium (2S)-2-[(4-bromophenyl)sulfonyl-(2-methylpropyl)amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate Openeye Name: potassium (2S)-2-[(4-bromophenyl)sulfonyl-isobutyl-amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate CAS Name: potassium (2S)-2-[(4-bromophenyl)sulfonyl-(2-methylpropyl)amino]-6-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]hexanoate IUPAC Name: potassium (2S)-2-[(4-bromophenyl)sulfonyl-(2-methylpropyl)amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate Traditional Name: potassium (2S)-2-[brosyl(isobutyl)amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate Formula: C31H34BrKN2O6S MolecularWeight: 681.67876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(CCCCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)[O-])S(=O)(=O)C4=CC=C(C=C4)Br.[K+]

Isomeric SMILES

CC(C)CN([C@@H](CCCCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)[O-])S(=O)(=O)C4=CC=C(C=C4)Br.[K+]

InChI

InChI=1S/C31H35BrN2O6S.K/c1-21(2)19-34(41(38,39)23-16-14-22(32)15-17-23)29(30(35)36)13-7-8-18-33-31(37)40-20-28-26-11-5-3-9-24(26)25-10-4-6-12-27(25)28;/h3-6,9-12,14-17,21,28-29H,7-8,13,18-20H2,1-2H3,(H,33,37)(H,35,36);/q;+1/p-1/t29-;/m0./s1