| CAS Number | 1184179-07-4 |
| Catalog Number | AG008SV3(AGN-PC-0WA2UT) |
| Chemical Name | (S)-2-(N-Cbz)(1-Cbz-pyrrolidin-3-yl)aminoacetic acid |
| IUPAC Name | 2-[phenylmethoxycarbonyl-[(3S)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid |
| InChI | InChI=1S/C22H24N2O6/c25-20(26)14-24(22(28)30-16-18-9-5-2-6-10-18)19-11-12-23(13-19)21(27)29-15-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H,25,26)/t19-/m0/s1 |
| InChI Key | DQZLGMVLRQSEPC-IBGZPJMESA-N |
| MDL Number | MFCD11865333 |
| Molecular Formula | C22H24N2O6 |
| Molecular Weight | 412.4358 |
| SMILES | OC(=O)CN(C(=O)OCc1ccccc1)[C@H]1CCN(C1)C(=O)OCc1ccccc1 |
| Synonyms | 1184179-07-4,
(S)-2-(((Benzyloxy)carbonyl)(1-((benzyloxy)carbonyl)pyrrolidin-3-yl)amino)acetic acid,
(S)-2-(N-Cbz)(1-Cbz-pyrrolidin-3-yl)aminoacetic acid,
CTK8C5248,
DTXSID00682183,
2984AA,
ANW-74904,
MFCD11865333,
ZINC40435305,
AKOS015893515,
FCH3667072,
AJ-102255,
AX8243464,
TR-034198,
A-5245,
I04-5954,
N-[(Benzyloxy)carbonyl]-N-{(3S)-1-[(benzyloxy)carbonyl]pyrrolidin-3-yl}glycine,
C22H24N2O6,
(s)-2-(n-cbz)(1-cbz-pyrrolidin-3-yl)aminoaceticacid,
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| Complexity | 586 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 412.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 412.442g/mol |
| Monoisotopic Mass | 412.163g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 96.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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