| CAS Number | 41486-97-9 |
| Catalog Number | AG00C7TA(AGN-PC-0OABLH) |
| Chemical Name | Z-Val-Ile-OH |
| IUPAC Name | (2S,3S)-3-methyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoic acid |
| InChI | InChI=1S/C19H28N2O5/c1-5-13(4)16(18(23)24)20-17(22)15(12(2)3)21-19(25)26-11-14-9-7-6-8-10-14/h6-10,12-13,15-16H,5,11H2,1-4H3,(H,20,22)(H,21,25)(H,23,24)/t13-,15-,16-/m0/s1 |
| InChI Key | WRWKLZMOFAMVPZ-BPUTZDHNSA-N |
| MDL Number | MFCD00027065 |
| Molecular Formula | C19H28N2O5 |
| Molecular Weight | 364.4360 |
| SMILES | CC[C@@H]([C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1)C |
| Synonyms | Z-VAL-ILE-OH,
41486-97-9,
ZINC2243012,
7976AH,
MFCD00027065,
AKOS030632651,
FT-0639720,
K-8746,
C-20986,
(2S,3S)-2-((S)-2-(benzyloxycarbonylamino)-3-methylbutanamido)-3-methylpentanoic acid,
C19H28N2O5,
|
| Complexity | 475 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 364.2g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 364.442g/mol |
| Monoisotopic Mass | 364.2g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number