| CAS Number | 63631-36-7 |
| Catalog Number | AG00EP4X(AGN-PC-0T9CJA) |
| Chemical Name | Asperphenamate |
| IUPAC Name | [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-benzamido-3-phenylpropanoate |
| 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 |
| InChI Key | CVULDJMCSSACEO-VMPREFPWSA-N |
| MDL Number | MFCD13183926 |
| Molecular Formula | C32H30N2O4 |
| Molecular Weight | 506.5916 |
| SMILES | O=C(N[C@@H](CC1=CC=CC=C1)COC([C@H](CC2=CC=CC=C2)NC(C3=CC=CC=C3)=O)=O)C4=CC=CC=C4 |
| Synonyms | asperphenamate,
Asperphenamate,
63631-36-7,
Auranamide,
AC1L5APN,
Asperphenamate_120258,
CHEMBL496238,
MEGxm0_000143,
ACon0_001364,
ACon1_002244,
NCGC00170024-01,
BRD-K77990213-001-01-6,
N-Benzoylphenylalanine-2-benzamido-3-phenyl propyl ester,
[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-benzamido-3-phenylpropanoate,
CID173952,
|
| Complexity | 732 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 506.221g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 506.602g/mol |
| Monoisotopic Mass | 506.221g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 84.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number