(2-benzamido-3-phenylpropyl) (2S)-2-benzamido-3-phenylpropanoate
PubChem CID: 90474294
Connections displayed (default: 10).
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| Topological Polar Surface Area | 84.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 38.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 732.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2-benzamido-3-phenylpropyl) (2S)-2-benzamido-3-phenylpropanoate |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Molecular Formula | C32H30N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CVULDJMCSSACEO-XIJSCUBXSA-N |
| Fcsp3 | 0.15625 |
| Logs | -4.458 |
| Rotatable Bond Count | 12.0 |
| Logd | 4.315 |
| Compound Name | (2-benzamido-3-phenylpropyl) (2S)-2-benzamido-3-phenylpropanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 506.221 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 506.221 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 506.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.047400821052632 |
| Inchi | InChI=1S/C32H30N2O4/c35-30(26-17-9-3-10-18-26)33-28(21-24-13-5-1-6-14-24)23-38-32(37)29(22-25-15-7-2-8-16-25)34-31(36)27-19-11-4-12-20-27/h1-20,28-29H,21-23H2,(H,33,35)(H,34,36)/t28?,29-/m0/s1 |
| Smiles | C1=CC=C(C=C1)C[C@@H](C(=O)OCC(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Daphne Genkwa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Rubus Alceifolius (Plant) Rel Props:Source_db:cmaup_ingredients