Noa-Asn-Apns-Dmt-NH-tBu
Basic information
- CAS
141804-42-4- Standard SMILES
CC(C)(C)NC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)COc2cccc3ccccc23)CSC1(C)C- InChIKey
UFSMRNQSQSGJII-QYRZKEDASA-N- Molecular formula
- C36H45N5O7S
- Average molar mass
- 691.8 g/mol
- Monoisotopic mass
- 691.30396997
Names & identifiers
- Preferred name
- Noa-Asn-Apns-Dmt-NH-tBu
- IUPAC
- (2S)-N-[(2S,3S)-4-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[(2-naphthalen-1-yloxyacetyl)amino]butanediamide
- English name
- KNI 174
- Molecular formula
- C35H43N5O7S
- Molecular weight
- 677.819
Names & synonyms
Noa-Asn-Apns-Dmt-NH-tBuBDBM793orb1738763CHEMBL5280289SCHEMBL30560910(2S)-N-[(2S,3S)-4-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[(2-naphthalen-1-yloxyacetyl)amino]butanediamide(2S)-N-[(1S,2S)-1-benzyl-3-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-thiazolidin-3-yl]-2-hydroxy-3-oxo-propyl]-2-[[2-(1-naphthyloxy)acetyl]amino]butanediamide(2S)-N-[(2S,3S)-4-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[2-(naphthalen-1-yloxy)acetamido]butanediamideN^1-[3-[4-[[(1,1-Dimethylethyl)amino]carbonyl]-5,5-dimethyl-3-thiazolidinyl]-2-hydroxy-3-oxo-1-(phenylmethyl)propyl]-2-[[(1-naphthalenyloxy)acetyl]amino]butanediamide, [4R-[3[1S*,(S*).2S*]],4R*]]KNI 174Butanediamide, N1-[(1S,2S)-3-[(4R)-4-[[(1,1-dimethylethyl)amino]carbonyl]-5,5-dimethyl-3-thiazolidinyl]-2-hydroxy-3-oxo-1-(phenylmethyl)propyl]-2-[[2-(1-naphthalenyloxy)acetyl]amino]-, (2S)-
Database identifiers
- CAS
141804-42-4- PubChem CID
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 205 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,190
Chemistry & industry
Applications
DescriptionKNI 174 is a new type of anti‐AIDS drug used as an HIV‐1 protease inhibitor
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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