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

Systemtic Name: [(4-azanyl-3-oxidanyl-1-phenyl-butan-2-yl)-(4-azanyl-2-oxidanyl-4-phenyl-butyl)carbamoyl] 2-methylpropane-1-sulfonate Openeye Name: [(3-amino-1-benzyl-2-hydroxy-propyl)-(4-amino-2-hydroxy-4-phenyl-butyl)carbamoyl] 2-methylpropane-1-sulfonate CAS Name: 2-methyl-1-propanesulfonic acid IUPAC Name: [(4-amino-3-hydroxy-1-phenylbutan-2-yl)-(4-amino-2-hydroxy-4-phenylbutyl)carbamoyl] 2-methylpropane-1-sulfonate Traditional Name: 2-methylpropane-1-sulfonic acid [(3-amino-1-benzyl-2-hydroxy-propyl)-(4-amino-2-hydroxy-4-phenyl-butyl)carbamoyl] ester Formula: C25H37N3O6S MolecularWeight: 507.64278

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Descriptors Computed from Structure

Canonical SMILES:

CC(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)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/C25H37N3O6S/c1-18(2)17-35(32,33)34-25(31)28(16-21(29)14-22(27)20-11-7-4-8-12-20)23(24(30)15-26)13-19-9-5-3-6-10-19/h3-12,18,21-24,29-30H,13-17,26-27H2,1-2H3