| CAS Number | 52071-65-5 |
| Catalog Number | AG00DEMD(AGN-PC-0OBMLX) |
| Chemical Name | Boc-Pro-Phe-OH |
| IUPAC Name | (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid |
| InChI | InChI=1S/C19H26N2O5/c1-19(2,3)26-18(25)21-11-7-10-15(21)16(22)20-14(17(23)24)12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,7,10-12H2,1-3H3,(H,20,22)(H,23,24)/t14-,15-/m0/s1 |
| InChI Key | JYOQCCFYSJPSLC-GJZGRUSLSA-N |
| MDL Number | MFCD00237581 |
| Molecular Formula | C19H26N2O5 |
| Molecular Weight | 362.4201 |
| SMILES | O=C(O)[C@@H](NC([C@H]1N(C(OC(C)(C)C)=O)CCC1)=O)CC2=CC=CC=C2 |
| Synonyms | BOC-PRO-PHE-OH,
52071-65-5,
1-[(1,1-Dimethylethoxy)carbonyl]-L-prolyl-L-phenylalanine,
BocPro-PheOH,
AK170109,
N-Boc-L-Pro-L-Phe,
SCHEMBL3165695,
CTK4J5360,
JYOQCCFYSJPSLC-GJZGRUSLSA-N,
ZINC2560858,
4641AH,
MFCD00237581,
DS-9755,
N-t-butoxycarbonyl-prolyl-phenylalanine,
K-9540,
C19H26N2O5,
CID7019898,
SMR000019539,
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| Complexity | 523 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 362.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 362.426g/mol |
| Monoisotopic Mass | 362.184g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number