| CAS Number | 214630-13-4 |
| Catalog Number | AG00BDTY(AGN-PC-0QY0F5) |
| Chemical Name | Boc-d-hcys(mbzl)-oh |
| IUPAC Name | (2R)-4-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid |
| InChI | InChI=1S/C17H25NO4S/c1-12-5-7-13(8-6-12)11-23-10-9-14(15(19)20)18-16(21)22-17(2,3)4/h5-8,14H,9-11H2,1-4H3,(H,18,21)(H,19,20)/t14-/m1/s1 |
| InChI Key | LIUGCVMBJYHYNA-CQSZACIVSA-N |
| MDL Number | MFCD01632042 |
| Molecular Formula | C17H25NO4S |
| Molecular Weight | 339.4497 |
| SMILES | O=C(OC(C)(C)C)N[C@@H](C(=O)O)CCSCc1ccc(cc1)C |
| Synonyms | 214630-13-4,
BOC-D-HCYS(MBZL)-OH,
(R)-2-((tert-Butoxycarbonyl)amino)-4-((4-methylbenzyl)thio)butanoic acid,
C17H25NO4S,
Boc-D-hcy(CH 3bzl)-OH,
DTXSID00679790,
ZINC2382541,
0918AB,
MFCD01632042,
AKOS016843891,
AJ-34871,
AX8032640,
K-6141,
630B134,
N-(tert-Butoxycarbonyl)(4-methylphenyl)-D-methionine,
N-alpha-t-Butyloxycarbonyl-S-(4-methylbenzyl)-D-homocysteine,
(R)-2-(BOC-AMINO)-4-(4-METHYL-BENZYLSULFANYL)BUTYRIC ACID,
(R)-2-(tert-butoxycarbonylamino)-4-(4-methylbenzylthio)butanoic acid,
LIUGCVMBJYHYNA-CQSZACIVSA-N,
(R)-2-((tert-Butoxycarbonyl)amino)-4-((4-methylbenzyl)thio)butanoicacid,
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| Complexity | 387 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.15g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.45g/mol |
| Monoisotopic Mass | 339.15g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number