| CAS Number | 1027511-76-7 |
| Catalog Number | AG0008AD(AGN-PC-0WA84G) |
| Chemical Name | 1,3-Pyrrolidinedicarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(phenylmethyl) ester |
| IUPAC Name | 3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C18H24N2O6/c1-17(2,3)26-15(23)19-18(14(21)22)9-10-20(12-18)16(24)25-11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,19,23)(H,21,22) |
| InChI Key | YNGVGDISDWWFCT-UHFFFAOYSA-N |
| MDL Number | MFCD09838931 |
| Molecular Formula | C18H24N2O6 |
| Molecular Weight | 364.3930 |
| SMILES | C(C1=CC=CC=C1)OC(=O)N1CC(CC1)(C(=O)O)NC(=O)OC(C)(C)C |
| Synonyms | 1027511-76-7,
1-((Benzyloxy)carbonyl)-3-((tert-butoxycarbonyl)amino)pyrrolidine-3-carboxylic acid,
3-Boc-amino-1-Cbz-pyrrolidine-3-carboxylic acid,
1,3-Pyrrolidinedicarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(phenylmethyl) ester,
SCHEMBL6241540,
AKOS016014421,
FCH5709899,
RL00132,
BBV-56384600,
AX8042287,
4CH-005552,
CS-0001950,
Y3149,
J-511776,
3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid,
C18H24N2O6,
1-[(benzyloxy)carbonyl]-3-{[(tert-butoxy)carbonyl]amino}pyrrolidine-3-carboxylic acid,
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| Complexity | 538 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 364.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 364.398g/mol |
| Monoisotopic Mass | 364.163g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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