Molecule ID: 135509759

IUPAC Name: 3-[(2Z,3S,4S)-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[(5R)-2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-methoxycarbonyl-3-methyl-4-oxo-1H-cyclopenta[b]pyrrol-6-ylidene]-4-methyl-3,4-dihydropyrrol-3-yl]propanoic acid

Description: The molecule is a member of biladienes. It derives from a biladiene-ab. It is a conjugate acid of a red chlorophyll catabolite(2-).

SMILES: C=CC1=C(C)/C(=C/C2=N/C(=C3\c4[nH]c(Cc5[nH]c(C=O)c(C)c5CC)c(C)c4C(=O)[C@@H]3C(=O)OC)[C@@H](CCC(=O)O)[C@@H]2C)N=C1O

SELFIES: [C][=C][C][=C][Branch1][C][C][/C][=Branch2][=Branch1][Ring2][=C][/C][=N][/C][=Branch2][Ring2][=C][=C][\C][NH1][C][Branch2][Ring1][C][C][C][NH1][C][Branch1][Ring1][C][=O][=C][Branch1][C][C][C][=Ring1][Branch2][C][C][=C][Branch1][C][C][C][=Ring1][P][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O][C][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C@@H1][Ring2][Ring2][Ring1][C][N][=C][Ring2][Ring2][O][O]

InChI: InChI=1S/C35H38N4O7/c1-8-19-15(3)26(14-40)36-25(19)13-24-18(6)28-32(38-24)29(30(33(28)43)35(45)46-7)31-21(10-11-27(41)42)17(5)22(37-31)12-23-16(4)20(9-2)34(44)39-23/h9,12,14,17,21,30,36,38H,2,8,10-11,13H2,1,3-7H3,(H,39,44)(H,41,42)/b23-12-,31-29-/t17-,21-,30+/m0/s1

Molecular Properties:
- Polar Surface Area: 171.0 Ų
- LogP: 2.8