Molecule ID: 134160297

IUPAC Name: (Z)-7-[1-[(5S)-5-amino-5-carboxypentyl]-4-[(E,3S)-3-hydroxyoct-1-enyl]-2-methyl-5-oxo-2H-pyrrol-3-yl]hept-5-enoic acid

Description: The molecule is an L-lysine derivative that is a gamma-lactam adduct formed between L-lysine and levuloglandin E2 (LGE2). It contains a gamma-lactam ring. It derives from a levuglandin E2.

SMILES: CCCCC[C@H](O)/C=C/C1=C(C/C=C\CCCC(=O)O)C(C)N(CCCC[C@H](N)C(=O)O)C1=O

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

InChI: InChI=1S/C26H42N2O6/c1-3-4-7-12-20(29)16-17-22-21(13-8-5-6-9-15-24(30)31)19(2)28(25(22)32)18-11-10-14-23(27)26(33)34/h5,8,16-17,19-20,23,29H,3-4,6-7,9-15,18,27H2,1-2H3,(H,30,31)(H,33,34)/b8-5-,17-16+/t19?,20-,23-/m0/s1

Molecular Properties:
- Polar Surface Area: 141.0 Ų
- LogP: 0.4