| CAS Number | 116883-12-6 |
| Catalog Number | AG008T6Q(AGN-PC-0P9OH5) |
| Chemical Name | BOC-LYS-AMC |
| IUPAC Name | tert-butyl N-[(2S)-6-amino-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxohexan-2-yl]carbamate |
| InChI | InChI=1S/C21H29N3O5/c1-13-11-18(25)28-17-12-14(8-9-15(13)17)23-19(26)16(7-5-6-10-22)24-20(27)29-21(2,3)4/h8-9,11-12,16H,5-7,10,22H2,1-4H3,(H,23,26)(H,24,27)/t16-/m0/s1 |
| InChI Key | BDIWFURAJXIIAA-INIZCTEOSA-N |
| MDL Number | MFCD03093404 |
| Molecular Formula | C21H29N3O5 |
| Molecular Weight | 403.4721 |
| SMILES | CC1=CC(OC2=C1C=CC(NC([C@@H](NC(OC(C)(C)C)=O)CCCCN)=O)=C2)=O |
| Synonyms | Boc-L-Lys-Amc,
116883-12-6,
Boc-Lys-AMC acetate salt,
Boc-Lys-AMC,
ZINC2506587,
6391AH,
MFCD03093404,
AS-46810,
BDIWFURAJXIIAA-INIZCTEOSA-N,
C21H29N3O5,
CID7015047,
Tert-butyl N-[(1S)-5-amino-1-[(4-methyl-2-oxo-chromen-7-yl)carbamoyl]pentyl]carbamate,
(S)-tert-Butyl (6-amino-1-((4-methyl-2-oxo-2H-chromen-7-yl)amino)-1-oxohexan-2-yl)carbamate,
|
| Complexity | 641 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 403.211g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 403.479g/mol |
| Monoisotopic Mass | 403.211g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number