| CAS Number | 136259-18-2 |
| Catalog Number | AG009IV7(AGN-PC-0PKVBR) |
| Chemical Name | (S)-4-Nitrobenzyl (5-amino-6-oxo-6-(pyrrolidin-1-yl)hexyl)carbamate |
| IUPAC Name | (4-nitrophenyl)methyl N-[(5S)-5-amino-6-oxo-6-pyrrolidin-1-ylhexyl]carbamate |
| InChI | InChI=1S/C18H26N4O5/c19-16(17(23)21-11-3-4-12-21)5-1-2-10-20-18(24)27-13-14-6-8-15(9-7-14)22(25)26/h6-9,16H,1-5,10-13,19H2,(H,20,24)/t16-/m0/s1 |
| InChI Key | YDYSCRZHYWLSPQ-INIZCTEOSA-N |
| MDL Number | MFCD02259686 |
| Molecular Formula | C18H26N4O5 |
| Molecular Weight | 378.4228 |
| SMILES | C(OCC1=CC=C([N+]([O-])=O)C=C1)(=O)NCCCC[C@H](N)C(=O)N1CCCC1 |
| Synonyms | 136259-18-2,
DPP-IV-IN-2,
H-Lys(4-nitro-Z)-pyrrolidide . HCl,
CHEMBL505629,
h-lys[z(4-no2)]-pyrrolidide,
H-Lys(4-nitro-Z)-pyrrolidide HCl,
AC1PNH9K,
Lys[Z(NO2)]pyrrolidide,
(S)-4-Nitrobenzyl (5-amino-6-oxo-6-(pyrrolidin-1-yl)hexyl)carbamate,
ZINC8076607,
BDBM50251851,
MFCD02259686,
CS-8195,
AS-46821,
HY-108319,
(4-nitrophenyl)methyl N-[(5S)-5-amino-6-oxo-6-pyrrolidin-1-ylhexyl]carbamate,
H-Lys -pyrrolidide.HCl,
CID9209502,
(4-nitrophenyl)methyl N-[(5S)-5-amino-6-oxo-6-pyrrolidin-1-yl-hexyl]carbamate,
|
| Complexity | 497 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 378.19g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 378.429g/mol |
| Monoisotopic Mass | 378.19g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 131A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number