4-[1-azanyl-2-[[2-azanyl-2-(4-carboxyphenyl)ethyl]disulfanyl]ethyl]benzoic acid

Systemtic Name: 4-[1-azanyl-2-[[2-azanyl-2-(4-carboxyphenyl)ethyl]disulfanyl]ethyl]benzoic acid Openeye Name: 4-[1-amino-2-[[2-amino-2-(4-carboxyphenyl)ethyl]disulfanyl]ethyl]benzoic acid CAS Name: 4-[1-amino-2-[[2-amino-2-(4-carboxyphenyl)ethyl]disulfanyl]ethyl]benzoic acid IUPAC Name: 4-[1-amino-2-[[2-amino-2-(4-carboxyphenyl)ethyl]disulfanyl]ethyl]benzoic acid Traditional Name: 4-[1-amino-2-[[2-amino-2-(4-carboxyphenyl)ethyl]disulfanyl]ethyl]benzoic acid Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CSSCC(C2=CC=C(C=C2)C(=O)O)N)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(CSSCC(C2=CC=C(C=C2)C(=O)O)N)N)C(=O)O

InChI

InChI=1S/C18H20N2O4S2/c19-15(11-1-5-13(6-2-11)17(21)22)9-25-26-10-16(20)12-3-7-14(8-4-12)18(23)24/h1-8,15-16H,9-10,19-20H2,(H,21,22)(H,23,24)