Basic information
- CAS
83861-02-3- Standard SMILES
O=C(O)CCNC(=O)[C@H](Cc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O- InChIKey
WOVRTBFSWOVRST-ROUUACIJSA-N- Molecular formula
- C21H24N2O5
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.16852187
Names & identifiers
- Preferred name
- Sch 32615
- IUPAC
- (2S)-2-[[(2S)-1-(2-carboxyethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropanoic acid
- English name
- SCH 32615
- Molecular formula
- C21H24N2O5
- Molecular weight
- 384.43
Names & synonyms
SCH 3261583861-02-3Sch-32615LT9YZC71VZbeta-Alanine, N-(N-(1-carboxy-2-phenylethyl)-L-phenylalanyl)-, (S)-DTXSID90232752RefChem:181726DTXCID20155243(N-(1-Carboxy-2-phenyl)ethyl)phenylalanyl-B-alanine(2S)-2-[[(2S)-1-(2-carboxyethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropanoic acidCHEMBL161885(S)-2-(((S)-1-((2-Carboxyethyl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-3-phenylpropanoic acid
Show more names
N-[N-[(S)-1-Carboxy-2-phenylethyl]-L-phenylalanyl]-β-alanine
starbld0024254UNII-LT9YZC71VZsch32615SCHEMBL391211orb1699362BDBM50016765AKOS040749447DA-67472
Database identifiers
- CAS
83861-02-3- PubChem CID
- 5486715
- DTXSID
DTXSID90232752- ChEMBL
CHEMBL161885- UNII
- LT9YZC71VZ
- Nikkaji
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 513
Physicochemical properties
- Boiling point
- 682.984 · 682.984±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.268 · 1.268±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 125 mg/mL · DMSO: 125 mg/mL (325.16 mM)
- form
- Solid
- pka
- 2.058 · 2.058±0.10(predicted)
- color
- Off-white to yellow
- FDA UNII
- 9 YZC71VZ · LT9YZC71VZ
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds which inhibit or antagonize biosynthesis or actions of proteases (ENDOPEPTIDASES).
Applications
UsesSCH 32615 is an enkephalinase (the enzymes responsible for the degradation of endogenous enkephalins) inhibitor. SCH 32615 can enhance surgery- and pregnancy-induced analgesia in mice[1][2].
Suppliers12 total
InvivoChem中国13549236410 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
开封明仁药业有限公司0371-65741762 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海畅禹和医药科技有限公司+86-13301875428 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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