3-azanyl-4-[(4-azanyl-1-phenyl-6-sulfo-hexan-3-yl)disulfanyl]-6-phenyl-hexane-1-sulfonic acid

Systemtic Name: 3-azanyl-4-[(4-azanyl-1-phenyl-6-sulfo-hexan-3-yl)disulfanyl]-6-phenyl-hexane-1-sulfonic acid Openeye Name: 3-amino-4-[(2-amino-1-phenethyl-4-sulfo-butyl)disulfanyl]-6-phenyl-hexane-1-sulfonic acid CAS Name: 3-amino-4-[(4-amino-1-phenyl-6-sulfohexan-3-yl)disulfanyl]-6-phenyl-1-hexanesulfonic acid IUPAC Name: 3-amino-4-[(4-amino-1-phenyl-6-sulfohexan-3-yl)disulfanyl]-6-phenylhexane-1-sulfonic acid Traditional Name: 3-amino-4-[(2-amino-1-phenethyl-4-sulfo-butyl)disulfanyl]-6-phenyl-hexane-1-sulfonic acid Formula: C24H36N2O6S4 MolecularWeight: 576.81244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(CCS(=O)(=O)O)N)SSC(CCC2=CC=CC=C2)C(CCS(=O)(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(CCS(=O)(=O)O)N)SSC(CCC2=CC=CC=C2)C(CCS(=O)(=O)O)N

InChI

InChI=1S/C24H36N2O6S4/c25-21(15-17-35(27,28)29)23(13-11-19-7-3-1-4-8-19)33-34-24(22(26)16-18-36(30,31)32)14-12-20-9-5-2-6-10-20/h1-10,21-24H,11-18,25-26H2,(H,27,28,29)(H,30,31,32)