Molecule ID: 70698347

IUPAC Name: 4-[[(1R,4R,5S,6S)-6-amino-6-benzoyl-5-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]-4-oxobutanoic acid

Description: The molecule is a dicarboxylic acid monoester that is succinic acid monoesterified with 6-endo-amino-6-exo-benzoyl-5-exo-phenylnorbornan-2-ol It is a primary amino compound, a dicarboxylic acid monoester, an aromatic ketone and a hemisuccinate. It derives from a succinic acid. It derives from a hydride of a norbornane.

SMILES: N[C@@]1(C(=O)c2ccccc2)[C@H](c2ccccc2)[C@H]2CC(OC(=O)CCC(=O)O)[C@@H]1C2

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

InChI: InChI=1S/C24H25NO5/c25-24(23(29)16-9-5-2-6-10-16)18-13-17(22(24)15-7-3-1-4-8-15)14-19(18)30-21(28)12-11-20(26)27/h1-10,17-19,22H,11-14,25H2,(H,26,27)/t17-,18+,19?,22-,24-/m1/s1

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: 0.2