| CAS Number | 53331-43-4 |
| Catalog Number | AG00D9TY(AGN-PC-0OBV8K) |
| Chemical Name | Z-Val-Pro-OH |
| IUPAC Name | (2S)-1-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C18H24N2O5/c1-12(2)15(16(21)20-10-6-9-14(20)17(22)23)19-18(24)25-11-13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11H2,1-2H3,(H,19,24)(H,22,23)/t14-,15-/m0/s1 |
| InChI Key | GPECCBYSVGSBBG-GJZGRUSLSA-N |
| MDL Number | MFCD00191171 |
| Molecular Formula | C18H24N2O5 |
| Molecular Weight | 348.3936 |
| SMILES | CC([C@@H](C(N1[C@H](C(O)=O)CCC1)=O)NC(OCC1=CC=CC=C1)=O)C |
| Synonyms | Z-VAL-PRO-OH,
53331-43-4,
N-Cbz-valylproline,
SCHEMBL1506251,
GPECCBYSVGSBBG-GJZGRUSLSA-N,
ZINC4899623,
MFCD00191171,
N-benzyloxycarbonyl-L-valyl-L-proline,
AKOS030632653,
V6450,
K-9669,
(S)-1-((S)-2-(benzyloxycarbonylamino)-3-methylbutanoyl)pyrrolidine-2-carboxylic acid,
C18H24N2O5,
CID10783923,
(2R)-1-[(2S)-3-methyl-2-phenylmethoxycarbonylamino-butanoyl]pyrrolidine-2-carboxylic Acid,
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| Complexity | 488 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 348.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.399g/mol |
| Monoisotopic Mass | 348.169g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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