| CAS Number | 25616-33-5 |
| Catalog Number | AG007MHA(AGN-PC-0O8BDX) |
| Chemical Name | Boc-Phe-Gly-OH |
| IUPAC Name | 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]acetic acid |
| InChI | InChI=1S/C16H22N2O5/c1-16(2,3)23-15(22)18-12(14(21)17-10-13(19)20)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)/t12-/m0/s1 |
| InChI Key | MJRWXIQFTMLYFG-LBPRGKRZSA-N |
| MDL Number | MFCD00134859 |
| Molecular Formula | C16H22N2O5 |
| Molecular Weight | 322.3563 |
| SMILES | O=C(O)CNC([C@@H](NC(OC(C)(C)C)=O)CC1=CC=CC=C1)=O |
| Synonyms | Boc-Phe-Gly-OH,
25616-33-5,
Boc-Phe-Gly-OH, AldrichCPR,
SCHEMBL1001781,
CTK8F8308,
DTXSID00426701,
MJRWXIQFTMLYFG-LBPRGKRZSA-N,
ZINC2504757,
tert-butoxycarbonylphenylalanylglycine,
6433AH,
MFCD00134859,
AKOS027340137,
FT-0638541,
K-6696,
(S)-2-(2-(tert-butoxycarbonylamino)-3-phenylpropanamido)acetic acid,
C16H22N2O5,
CID7014899,
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]acetic Acid,
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| Complexity | 425 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.361g/mol |
| Monoisotopic Mass | 322.153g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number