Sch 47896
Basic information
- CAS
142621-29-2- Standard SMILES
O=C(O)C[C@H](O)NC(=O)[C@H](Cc1ccccc1)N[C@@H](CCc1ccc(O)cc1)C(=O)O- InChIKey
UCONTMFOVWAEKX-FHWLQOOXSA-N- Molecular formula
- C22H26N2O7
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.17400117
Overview
structure given in first source; an inhibitor of neutral metalloendopeptidase
Names & identifiers
- Preferred name
- Sch 47896
- IUPAC
- (2S)-2-[[(2S)-1-[[(1S)-2-carboxy-1-hydroxyethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-(4-hydroxyphenyl)butanoic acid
- English name
- SCH 47896
- Molecular formula
- C22H26N2O7
- Molecular weight
- 430.45104
Names & synonyms
Sch 47896142621-29-2Sch-47896beta-Alanine, N-(N-(1-carboxy-3-(4-hydroxyphenyl)propyl)-L-phenylalanyl)-2-hydroxy-, (S-(R*,R*))-DTXSID30162105SCH47896RefChem:181750DTXCID7084596(125I)Sch47896(2S)-2-[[(2S)-1-[[(1S)-2-carboxy-1-hydroxyethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-(4-hydroxyphenyl)butanoic acid(2S)-2-{[(2S)-1-{[(1S)-2-Carboxy-1-hydroxyethyl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-4-(4-hydroxyphenyl)butanoic acidN-(N-(1(5)-Carboxy-3-(4-hydroxyphenyl)propyl)-(5)-phenylalanyl)-(5)-isoserine
Database identifiers
- CAS
142621-29-2- PubChem CID
- 5487484
- DTXSID
DTXSID30162105
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 586
Chemistry & industry
Applications
DescriptionSch 47896 is a neutral metalloendopeptidase (NEP) inhibitor.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…