Basic information
- CAS
139694-65-8- Standard SMILES
CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1- InChIKey
XCVUOCMQYKSJJR-IGRGDXOOSA-N- Molecular formula
- C31H41N5O7
- Average molar mass
- 595.7 g/mol
- Monoisotopic mass
- 595.30059866
Overview
Kni 102 is a peptide.
Names & identifiers
- Preferred name
- N2-((Phenylmethoxy)carbonyl)-L-asparaginyl-(alphaS,betaS)-beta-amino-alpha-hydroxybenzenebutanoyl-N-(1,1-dimethylethyl)-L-prolinamide
- IUPAC
- benzyl N-[(2S)-4-amino-1-[[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
- English name
- KNI 102
- Molecular formula
- C31H41N5O7
- Molecular weight
- 595.693
Names & synonyms
Kni 102139694-65-8Z-Asn-apns-pro-NH-t-butRPI-312DTXSID70161152Z-Asparaginyl-allophenylnorstatinyl-t-butylproline amideRefChem:927382DTXCID3083643N2-((Phenylmethoxy)carbonyl)-L-asparaginyl-(alphaS,betaS)-beta-amino-alpha-hydroxybenzenebutanoyl-N-(1,1-dimethylethyl)-L-prolinamideKni-102Rpi 312benzyl N-[(2S)-4-amino-1-[[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
Show more names
Kn102(S)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(S)-2-benzyloxycarbonylaMinosuccinaMyl]aMino-4-phenylbutanoyl]pyrrolidine-2-carboxaMide|Z-Asn-Phe-Psi[CH(OH)C(O)N]Pro-NHtBu
L-Prolinamide, N2-((phenylmethoxy)carbonyl)-L-asparaginyl-(2S,3S)-2-hydroxy-4-phenyl-3-aminobutanoyl-N-(1,1-dimethylethyl)-1-(3-(N-alpha-Benzyloxycarbonyl-L-asparaginyl)amino-2-hydroxy-4-phenylbutyryl)-N-tert-butyl-L-prolinamideBenzyl ((S)-4-amino-1-(((2S,3S)-4-((S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)amino)-1,4-dioxobutan-2-yl)carbamateAHPBA 1aCbz-Asn-Apns-Pro-NH-tBuBDBM4215orb1696757SCHEMBL2771668
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 972
Chemistry & industry
Applications
UsesKNI-102 is a potent anti-HIV agent with an IC50 value of 100 nM for HIV protease[1].
Suppliers1 total
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: Kni 102 is a peptide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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