Molecule ID: 59053147

IUPAC Name: (1S,14S)-6,9-dihydroxy-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),4,6,8,10,12(19)-hexaene-16,18-dione

Description: The molecule is an organic heterotetracyclic compound obtained via intramolecular oxidative aromatic coupling of cyclo(L-tyrosyl-L-tyrosyl). It has a role as a metabolite. It is a polyphenol, an organic heterotetracyclic compound and a member of 2,5-diketopiperazines. It derives from a cyclo(L-tyrosyl-L-tyrosyl).

SMILES: OC1=N[C@H]2Cc3ccc(O)c(c3)-c3cc(ccc3O)C[C@@H]1N=C2O

SELFIES: [O][C][=N][C@H1][C][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][O][C][C@@H1][Ring2][Ring1][Ring2][N][=C][Ring2][Ring1][Ring2][O]

InChI: InChI=1S/C18H16N2O4/c21-15-3-1-9-5-11(15)12-6-10(2-4-16(12)22)8-14-18(24)19-13(7-9)17(23)20-14/h1-6,13-14,21-22H,7-8H2,(H,19,24)(H,20,23)/t13-,14-/m0/s1

Molecular Properties:
- Polar Surface Area: 98.7 Ų
- LogP: 1.7