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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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