2-azanyl-3-[2,5-bis(2-azanyl-3-sulfanyl-propanoyl)-3,4-bis(oxidanyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2,5-bis(2-azanyl-3-sulfanyl-propanoyl)-3,4-bis(oxidanyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[2,5-bis(2-amino-3-sulfanyl-propanoyl)-3,4-dihydroxy-phenyl]propanoic acid CAS Name: 2-amino-3-[2,5-bis(2-amino-3-mercapto-1-oxopropyl)-3,4-dihydroxyphenyl]propanoic acid IUPAC Name: 2-amino-3-[2,5-bis(2-amino-3-sulfanylpropanoyl)-3,4-dihydroxyphenyl]propanoic acid Traditional Name: 2-amino-3-[2,5-bis(2-amino-3-mercapto-propanoyl)-3,4-dihydroxy-phenyl]propionic acid Formula: C15H21N3O6S2 MolecularWeight: 403.47374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1CC(C(=O)O)N)C(=O)C(CS)N)O)O)C(=O)C(CS)N

Isomeric SMILES

C1=C(C(=C(C(=C1CC(C(=O)O)N)C(=O)C(CS)N)O)O)C(=O)C(CS)N

InChI

InChI=1S/C15H21N3O6S2/c16-7(15(23)24)2-5-1-6(11(19)8(17)3-25)12(20)14(22)10(5)13(21)9(18)4-26/h1,7-9,20,22,25-26H,2-4,16-18H2,(H,23,24)