| CAS Number | 115627-41-3 |
| Catalog Number | AG000GA6(AGN-PC-0NYSJL) |
| Chemical Name | n-(3-indolylformyl)-l-phenylalanine |
| IUPAC Name | (2S)-2-(1H-indole-3-carbonylamino)-3-phenylpropanoic acid |
| InChI | InChI=1S/C18H16N2O3/c21-17(14-11-19-15-9-5-4-8-13(14)15)20-16(18(22)23)10-12-6-2-1-3-7-12/h1-9,11,16,19H,10H2,(H,20,21)(H,22,23)/t16-/m0/s1 |
| InChI Key | XMJAVOYAYRHTGQ-INIZCTEOSA-N |
| MDL Number | MFCD08061355 |
| Molecular Formula | C18H16N2O3 |
| Molecular Weight | 308.3312 |
| SMILES | O=C(C1=CNC2=CC=CC=C12)N[C@H](C(O)=O)CC1C=CC=CC=1 |
| Synonyms | N-(3-Indolylformyl)-L-phenylalanine,
115627-41-3,
(S)-2-(1H-Indole-3-carboxamido)-3-phenylpropanoic acid,
(s)-2-[(1h-indole-3-carbonyl)-amino]-3-phenyl-propionic acid,
L-Phenylalanine,N-(1H-indol-3-ylcarbonyl)-,
CTK4A9414,
MFCD08061355,
ZINC12649515,
AKOS025312467,
AS-37436,
AB0075823,
AX8030347,
RT-014114,
X-1609,
XMJAVOYAYRHTGQ-INIZCTEOSA-N,
|
| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.337g/mol |
| Monoisotopic Mass | 308.116g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 82.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number