Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((1-oxo-3-phenylpropyl)amino)-1-(((1-oxo-3-phenylpropyl)amino)methyl)ethyl ester, (+-)-
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Basic information
- CAS
147879-85-4- Standard SMILES
CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OC(CNC(=O)CCc1ccccc1)CNC(=O)CCc1ccccc1- InChIKey
MRSFBDXXTLBMSE-UHFFFAOYSA-N- Molecular formula
- C35H41N3O6S
- Average molar mass
- 631.8 g/mol
- Monoisotopic mass
- 631.27160721
Names & identifiers
- Preferred name
- Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((1-oxo-3-phenylpropyl)amino)-1-(((1-oxo-3-phenylpropyl)amino)methyl)ethyl ester, (+-)-
- IUPAC
- 1,3-bis(3-phenylpropanoylamino)propan-2-yl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate
- English name
- Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((1-oxo-3 -phenylpropyl)amino)-1-(((1-oxo-3-phenylpropyl)amino)methyl)ethyl este r, (+-)-
- Molecular formula
- C35H41N3O6S
- Molecular weight
- 631.79
Names & synonyms
147879-85-4Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((1-oxo-3-phenylpropyl)amino)-1-(((1-oxo-3-phenylpropyl)amino)methyl)ethyl ester, (+-)-RefChem:3464151,3-bis(3-phenylpropanoylamino)propan-2-yl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetateDTXSID50933238161696-92-0N,N'-{2-[(N-{2-[(Acetylsulfanyl)methyl]-1-hydroxy-3-phenylpropylidene}glycyl)oxy]propane-1,3-diyl}bis(3-phenylpropanimidic acid)1,3-Bis[(3-Phenylpropanoyl)Amino]-2-Propanyl N-[3- (Acetylsulfanyl)-2-Benzylpropanoyl]GlycinateGlycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((1-oxo-3 -phenylpropyl)amino)-1-(((1-oxo-3-phenylpropyl)amino)methyl)ethyl este r, (+-)-
Database identifiers
- CAS
147879-85-4- PubChem CID
- 3073280
- DTXSID
DTXSID50933238- Nikkaji
- J545.624J
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 20
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 890
Related reactions
0 records
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Compound notes
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