(2R)-2-Amino-N-(4-nitrophenyl)-3-((phenylmethyl)thio)propanamide
Basic information
- CAS
7436-62-6- Standard SMILES
N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1- InChIKey
HOZQMLJHNCMSRC-HNNXBMFYSA-N- Molecular formula
- C16H17N3O3S
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.09906259
Overview
substrate for cystine aminopeptidase
Names & identifiers
- Preferred name
- (2R)-2-Amino-N-(4-nitrophenyl)-3-((phenylmethyl)thio)propanamide
- IUPAC
- (2R)-2-amino-3-benzylsulfanyl-N-(4-nitrophenyl)propanamide
- English name
- H-Cys(Bzl)-PNA
- Molecular formula
- C16H17N3O3S
- Molecular weight
- 331.39
Names & synonyms
7436-62-6S-Benzyl-L-cysteine-4'-nitroanilideDTXSID30883500Propanamide, 2-amino-N-(4-nitrophenyl)-3-[(phenylmethyl)thio]-, (2R)-Propanamide, 2-amino-N-(4-nitrophenyl)-3-((phenylmethyl)thio)-, (2R)-RefChem:868720DTXCID701023028(2R)-2-Amino-N-(4-nitrophenyl)-3-((phenylmethyl)thio)propanamide231-090-1H-CYS(BZL)-PNAS-Benzyl-L-cysteine-4-nitroaniline(2R)-2-amino-3-benzylsulfanyl-N-(4-nitrophenyl)propanamide
Show more names
L-Cys(Bzl)-pNAH2N-Cys(Bzl)-pNACYSTEINE(BZL)-PNA(theta)-propanamidS-BENZYL-L-CYSTEINE P-NITROANILIDES-BENZYL-L-CYSTEINE-4-NITROANILIDEN-(4-Nitrophenyl)-S-benzyl-L-cysteinamide
(R)-2-Amino-3-benzylthio-N-(4-nitrophenyl)propionamides-Benzyl-L-cysteine-p-nitroanilideMFCD00007302(R)-2-Amino-3-(benzylthio)-N-(4-nitrophenyl)propanamideL-2-Amino-3-(benzylthio)-4'-nitropropionanilides-benzyl-n-(4-nitrophenyl)-l-cysteinamideEINECS 231-090-1SCHEMBL1158102
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 389
Physicochemical properties
- Melting point
- 99 · 99-102 °C
- storage temp.
- 2 · 2-8°C
- EPA Substance Registry System
- 2 · Propanamide, 2-amino-N-(4-nitrophenyl)-3-[(phenylmethyl)thio]-, (2R)- (7436-62-6)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- F
- 10 · 10-23
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10-23
- wgk
- 3
- tsca
- TSCA listed
- safety_code
- 22-24/25
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanamide, 2-amino-N-(4-nitrophenyl)-3-[(phenylmethyl)thio]-, (2R)-: INACTIVE
Applications
UsesHighly efficient substrate for cystyl aminopeptidase (oxytocinase).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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