[(4-azanyl-3-oxidanyl-1-phenyl-butan-2-yl)-(4-azanyl-2-oxidanyl-4-phenyl-butyl)carbamoyl] 2,2-dimethylpropane-1-sulfonate

Systemtic Name: [(4-azanyl-3-oxidanyl-1-phenyl-butan-2-yl)-(4-azanyl-2-oxidanyl-4-phenyl-butyl)carbamoyl] 2,2-dimethylpropane-1-sulfonate Openeye Name: [(3-amino-1-benzyl-2-hydroxy-propyl)-(4-amino-2-hydroxy-4-phenyl-butyl)carbamoyl] 2,2-dimethylpropane-1-sulfonate CAS Name: 2,2-dimethyl-1-propanesulfonic acid IUPAC Name: [(4-amino-3-hydroxy-1-phenylbutan-2-yl)-(4-amino-2-hydroxy-4-phenylbutyl)carbamoyl] 2,2-dimethylpropane-1-sulfonate Traditional Name: 2,2-dimethylpropane-1-sulfonic acid [(3-amino-1-benzyl-2-hydroxy-propyl)-(4-amino-2-hydroxy-4-phenyl-butyl)carbamoyl] ester Formula: C26H39N3O6S MolecularWeight: 521.66936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CS(=O)(=O)OC(=O)N(CC(CC(C1=CC=CC=C1)N)O)C(CC2=CC=CC=C2)C(CN)O

Isomeric SMILES

CC(C)(C)CS(=O)(=O)OC(=O)N(CC(CC(C1=CC=CC=C1)N)O)C(CC2=CC=CC=C2)C(CN)O

InChI

InChI=1S/C26H39N3O6S/c1-26(2,3)18-36(33,34)35-25(32)29(17-21(30)15-22(28)20-12-8-5-9-13-20)23(24(31)16-27)14-19-10-6-4-7-11-19/h4-13,21-24,30-31H,14-18,27-28H2,1-3H3