| CAS Number | 179411-94-0 |
| Catalog Number | AG00ABLN |
| Chemical Name | SDZ 220-581 (Ammonium salt) |
| IUPAC Name | (2S)-2-amino-3-[3-(2-chlorophenyl)-5-(phosphonomethyl)phenyl]propanoic acid;azane |
| InChI | InChI=1S/C16H17ClNO5P.H3N/c17-14-4-2-1-3-13(14)12-6-10(8-15(18)16(19)20)5-11(7-12)9-24(21,22)23;/h1-7,15H,8-9,18H2,(H,19,20)(H2,21,22,23);1H3/t15-;/m0./s1 |
| InChI Key | JSKZYMJZKPLCNJ-RSAXXLAASA-N |
| MDL Number | MFCD11215257 |
| Molecular Formula | C16H20ClN2O5P |
| Molecular Weight | 386.7672 |
| SMILES | ClC1C(C2C=C(CP(=O)(O)O)C=C(C[C@H](N)C(=O)O)C=2)=CC=CC=1.N |
| Synonyms | SDZ 220-581 (Ammonium salt),
179411-94-0,
SDZ 220-581 Ammonium salt,
SDZ 220-581 Ammonium,
sdz-220581,
HY-13059A,
CS-1476,
W-5480,
A15235,
|
| Complexity | 485 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 386.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 386.769g/mol |
| Monoisotopic Mass | 386.08g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 122A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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