AC1Q5IWR
benzyl N-[1-amino-3-[[3-amino-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-1-oxopropan-2-yl]carbamate
Also Known As: n,n'-bis[(benzyloxy)carbonyl]cystinamide|Benzyl 2-amino-1-(((3-amino-2-(((benzyloxy)carbonyl)amino)-3-oxopropyl)dithio)methyl)-2-oxoethylcarbamate|benzyl N-[1-amino-3-[[3-amino-3-oxo-2-(phenylmethoxycarbonyl|benzyl N-[1-amino-3-[[3-amino-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-1-oxopropan-2-yl]carbamate|3,3'-Disulfanediylbis(2-{[(benzyloxy)(hydroxy)methylidene]amino}propanimidic acid)|benzyl N-[2-amino-1-[[[3-amino-2-(benzyloxycarbonylamino)-3-oxo-propyl]disulfanyl]methyl]-2-oxo-ethyl]carbamate
| Molecular Formula | C22H26N4O6S2 |
|---|---|
| Molecular Weight | 506.12936 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 213.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 506.12936 |
| Monoisotopic Mass | 506.12936 |
| Heavy Atoms | 34 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 7249-75-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NC(CSSCC(C(=O)N)NC(=O)OCC2=CC=CC=C2)C(=O)N |
| InChIKey | ZSWABOZHRNOTPI-UHFFFAOYSA-N |
Product Overview
AC1Q5IWR (CAS 7249-75-4), with molecular formula C22H26N4O6S2 and molecular weight 506.12936 g/mol. IUPAC: benzyl N-[1-amino-3-[[3-amino-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-1-oxopropan-2-yl]carbamate.