KNI-272

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H41N5O6S2
Molecular Weight	667.839
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CSC[C@H](NC(=O)COC1=C2C=CN=CC2=CC=C1)C(=O)N[C@@H](CC3=CC=CC=C3)[C@H](O)C(=O)N4CSC[C@H]4C(=O)NC(C)(C)C

InChI

InChIKey=NJBBLOIWMSYVCQ-VZTVMPNDSA-N

InChI=1S/C33H41N5O6S2/c1-33(2,3)37-31(42)26-19-46-20-38(26)32(43)29(40)24(15-21-9-6-5-7-10-21)36-30(41)25(18-45-4)35-28(39)17-44-27-12-8-11-22-16-34-14-13-23(22)27/h5-14,16,24-26,29,40H,15,17-20H2,1-4H3,(H,35,39)(H,36,41)(H,37,42)/t24-,25-,26-,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C33H41N5O6S2
Molecular Weight	667.839
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Thermodynamic dissection of the binding energetics of KNI-272, a potent HIV-1 protease inhibitor.	2000 Sep	11045625
Synthesis and biological evaluation of prodrug-type anti-HIV agents: ester conjugates of carboxylic acid-containing dipeptide HIV protease inhibitors and a reverse transcriptase inhibitor.	2001 Feb	11249134
Targets of a protease inhibitor, KNI-272, in HIV-1-infected cells.	2001 Mar	11170058
Synthesis and antiviral property of allophenylnorstatine-based HIV protease inhibitors incorporating D-cysteine derivatives as P2/P3 moieties.	2007 Aug 1	17537628

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:30:39 GMT 2023` Edited by `admin` on `Fri Dec 15 16:30:39 GMT 2023`
Record UNII	MUL0OE3YBF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KNI-272

Common Name

English

N-T-BUTYL-3-((2S,3S)-2-HYDROXY-3-(N-((R)-2-(N-(ISOQUINOLIN-5-YLOXYACETYL)AMINO))-3-METHYLTHIOPROPANOYLAMINO)-4-PHENYLBUTANOYL)-1,3-THIAZOLIDINE-4-CARBOXAMIDE,L-

Common Name

English

KYNOSTATIN

Common Name

English

NSC-651714

Code

English

4-THIAZOLIDINECARBOXAMIDE, N-(1,1-DIMETHYLETHYL)-3-(2-HYDROXY-3-((2-(((5-ISOQUINOLINYLOXY)ACETYL)AMINO)-3-(METHYLTHIO)-1-OXOPROPYL)AMINO)-1-OXO-4-PHENYLBUTYL)-, (4R-(3(2S*,3S*(R*)),4R*))-

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C783