| CAS Number | 270567-85-6 |
| Catalog Number | AG00BJAK(AGN-PC-0WBO54) |
| Chemical Name | N-Alpha-carbobenzoxy-4-(t-butoxycarbonyl)-l-phenylalanine |
| IUPAC Name | (2S)-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C22H25NO6/c1-22(2,3)29-20(26)17-11-9-15(10-12-17)13-18(19(24)25)23-21(27)28-14-16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H,23,27)(H,24,25)/t18-/m0/s1 |
| InChI Key | IRYLLSSJKNKUNJ-SFHVURJKSA-N |
| MDL Number | MFCD01318753 |
| Molecular Formula | C22H25NO6 |
| Molecular Weight | 399.4370 |
| SMILES | C1(C(=O)OC(C)(C)C)C=CC(C[C@@H](C(=O)O)NC(=O)OCC2C=CC=CC=2)=CC=1 |
| Synonyms | Z-p-carboxy-Phe(OtBu)-OH,
270567-85-6,
N-ALPHA-CARBOBENZOXY-4-(T-BUTOXYCARBONYL)-L-PHENYLALANINE,
Z-(4-tert-butyloxycarbonyl)-L-phenylalanine,
SCHEMBL2686966,
IRYLLSSJKNKUNJ-SFHVURJKSA-N,
ZINC2244310,
7517AH,
MFCD01318753,
K-6929,
J-016659,
N-[(benzyloxy)carbonyl]-4-(tert-butoxycarbonyl)-L-phenylalanine,
(2S)-2-(Benzyloxycarbonylamino)-3-[4-(tert-butoxycarbonyl)phenyl]propionic acid,
C22H25NO6,
CID7006684,
(2S)-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2-phenylmethoxycarbonylamino-propanoic Acid,
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| Complexity | 556 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 399.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 399.443g/mol |
| Monoisotopic Mass | 399.168g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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