4-[2-azanyl-3-[[2-azanyl-3-(4-carboxyphenyl)propyl]disulfanyl]propyl]benzoic acid

Systemtic Name: 4-[2-azanyl-3-[[2-azanyl-3-(4-carboxyphenyl)propyl]disulfanyl]propyl]benzoic acid Openeye Name: 4-[2-amino-3-[[2-amino-3-(4-carboxyphenyl)propyl]disulfanyl]propyl]benzoic acid CAS Name: 4-[2-amino-3-[[2-amino-3-(4-carboxyphenyl)propyl]disulfanyl]propyl]benzoic acid IUPAC Name: 4-[2-amino-3-[[2-amino-3-(4-carboxyphenyl)propyl]disulfanyl]propyl]benzoic acid Traditional Name: 4-[2-amino-3-[[2-amino-3-(4-carboxyphenyl)propyl]disulfanyl]propyl]benzoic acid Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CSSCC(CC2=CC=C(C=C2)C(=O)O)N)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC(CSSCC(CC2=CC=C(C=C2)C(=O)O)N)N)C(=O)O

InChI

InChI=1S/C20H24N2O4S2/c21-17(9-13-1-5-15(6-2-13)19(23)24)11-27-28-12-18(22)10-14-3-7-16(8-4-14)20(25)26/h1-8,17-18H,9-12,21-22H2,(H,23,24)(H,25,26)