Benzyl 2-amino-1-(((3-amino-2-(((benzyloxy)carbonyl)amino)-3-oxopropyl)dithio)methyl)-2-oxoethylcarbamate
Basic information
- CAS
7249-75-4- Standard SMILES
NC(=O)C(CSSCC(NC(=O)OCc1ccccc1)C(N)=O)NC(=O)OCc1ccccc1- InChIKey
ZSWABOZHRNOTPI-UHFFFAOYSA-N- Molecular formula
- C22H26N4O6S2
- Average molar mass
- 506.6 g/mol
- Monoisotopic mass
- 506.12937691
Names & identifiers
- Preferred name
- Benzyl 2-amino-1-(((3-amino-2-(((benzyloxy)carbonyl)amino)-3-oxopropyl)dithio)methyl)-2-oxoethylcarbamate
- IUPAC
- benzyl N-[1-amino-3-[[3-amino-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-1-oxopropan-2-yl]carbamate
- English name
- benzyl N-[1-carbamoyl-2-(2-carbamoyl-2-phenylmethoxycarbonylamino-ethy l)disulfanyl-ethyl]carbamate
- Molecular formula
- C22H26N4O6S2
- Molecular weight
- 506.6
Names & synonyms
7249-75-4NSC401080NSC 401080Benzyl 2-amino-1-(((3-amino-2-(((benzyloxy)carbonyl)amino)-3-oxopropyl)dithio)methyl)-2-oxoethylcarbamateNSC43121DTXSID50993317NSC-43121NSC-4010803,3'-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]carbamatebenzyl N-[1-carbamoyl-2-(2-carbamoyl-2-phenylmethoxycarbonylamino-ethy l)disulfanyl-ethyl]carbamate
Database identifiers
- CAS
7249-75-4- PubChem CID
- 238653
- DTXSID
DTXSID50993317
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 213 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 616
Physicochemical properties
- Boiling point
- 801.573 · 801.573±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.37 · 1.370±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.29 · 10.290±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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