| CAS Number | 63594-37-6 |
| Catalog Number | AG00EGQP(AGN-PC-0T97JU) |
| Chemical Name | H-Orn(Z)-OBzl.HCl |
| IUPAC Name | benzyl (2S)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate;hydrochloride |
| InChI | InChI=1S/C20H24N2O4.ClH/c21-18(19(23)25-14-16-8-3-1-4-9-16)12-7-13-22-20(24)26-15-17-10-5-2-6-11-17;/h1-6,8-11,18H,7,12-15,21H2,(H,22,24);1H/t18-;/m0./s1 |
| InChI Key | XOTAHZAMYKJUFV-FERBBOLQSA-N |
| MDL Number | MFCD00237210 |
| Molecular Formula | C20H25ClN2O4 |
| Molecular Weight | 392.8765 |
| SMILES | Cl.N[C@H](C(=O)OCC1=CC=CC=C1)CCCNC(=O)OCC1=CC=CC=C1 |
| Synonyms | H-ORN(Z)-OBZL HCL,
63594-37-6,
H-Orn(z)-OBzl hydrochloride,
KM0762,
MFCD00237210,
AKOS015910044,
AKOS030524661,
FT-0698731,
I14-31135,
L-Ornithine,n5-[(phenylmethoxy)carbonyl]-,phenylmethyl ester,monohydrochloride(9ci),
H-Orn(Z)-Obzl.HCl,
H-ORN -OBZLHCL,
H-Orn(Z)-OBzl . HCl,
ACN-033927,
H-Orn(Z)-OBzl inverted exclamation mark currency HCl,
|
| Complexity | 418 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 392.15g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 392.88g/mol |
| Monoisotopic Mass | 392.15g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 90.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number