UK-370106

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H44N2O5
Molecular Weight	572.7343
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCC1=CC(C)=C(C=C1)C2=CC=CC=C2)CC(O)=O)C(C)(C)C)C3=CC=CC=C3

InChI

InChIKey=NSMABJUGSNPHMN-BHYWQNONSA-N

InChI=1S/C35H44N2O5/c1-24-21-25(19-20-29(24)26-14-8-6-9-15-26)13-12-18-28(22-31(38)39)33(40)37-32(35(2,3)4)34(41)36-30(23-42-5)27-16-10-7-11-17-27/h6-11,14-17,19-21,28,30,32H,12-13,18,22-23H2,1-5H3,(H,36,41)(H,37,40)(H,38,39)/t28-,30-,32-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C35H44N2O5
Molecular Weight	572.7343
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Matrix metalloproteinase 3 13 Target ID: CHEMBL283 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12877590	Inhibitor 8297		23.0 nM [IC50]
Matrix metalloproteinase 12 1 Target ID: CHEMBL4393 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12877590	Inhibitor 8297		42.0 nM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:08:18 UTC 2023` Edited by `admin` on `Sat Dec 16 20:08:18 UTC 2023`
Record UNII	W2WJ6ME4K7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

UK-370106

Code

English

UK-370,106

Code

English

(βR)-β-[[[(1S)-1-[[[(1S)-2-Methoxy-1-phenylethyl]amino]carbonyl]-2,2-dimethylpropyl]amino]carbonyl]-2-methyl[1,1′-biphenyl]-4-hexanoic acid

Systematic Name

English

(3R)-3-({[(1S)-1-({[(1S)-2-methoxy-1-phenylethyl]amino}carbonyl)-2,2-dimethylpropyl]amino}carbonyl)-6-(2-methyl[1,1'-biphenyl]-4-yl)hexanoic acid

Systematic Name

English

[1,1′-Biphenyl]-4-hexanoic acid, β-[[[(1S)-1-[[[(1S)-2-methoxy-1-phenylethyl]amino]carbonyl]-2,2-dimethylpropyl]amino]carbonyl]-2-methyl-, (βR)-

Systematic Name

English

Code System Code Type Description

CAS

230961-21-4

Created by admin on Sat Dec 16 20:08:18 UTC 2023 , Edited by admin on Sat Dec 16 20:08:18 UTC 2023

PRIMARY

FDA UNII

W2WJ6ME4K7

Created by admin on Sat Dec 16 20:08:18 UTC 2023 , Edited by admin on Sat Dec 16 20:08:18 UTC 2023

PRIMARY

PUBCHEM

9808181

Created by admin on Sat Dec 16 20:08:18 UTC 2023 , Edited by admin on Sat Dec 16 20:08:18 UTC 2023

PRIMARY

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