CGP-42112

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C52H69N13O11
Molecular Weight	1052.1848
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)OCC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(O)C=C4)NC(=O)C5=CC=CN=C5)C(O)=O

InChI

InChIKey=UXGNARZDONUMMK-LRMQDCNJSA-N

InChI=1S/C52H69N13O11/c1-3-32(2)43(50(73)74)64-48(71)42-17-11-25-65(42)49(72)41(27-36-29-56-31-59-36)62-46(69)39(60-47(70)40(26-33-18-20-37(66)21-19-33)61-44(67)35-14-9-22-55-28-35)15-7-8-23-57-45(68)38(16-10-24-58-51(53)54)63-52(75)76-30-34-12-5-4-6-13-34/h4-6,9,12-14,18-22,28-29,31-32,38-43,66H,3,7-8,10-11,15-17,23-27,30H2,1-2H3,(H,56,59)(H,57,68)(H,60,70)(H,61,67)(H,62,69)(H,63,75)(H,64,71)(H,73,74)(H4,53,54,58)/t32-,38-,39-,40-,41-,42-,43-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C52H69N13O11
Molecular Weight	1052.1848
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Angiotensin II type 2 (AT-2) receptor 9 Target ID: CHEMBL257 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10833449\|https://www.ncbi.nlm.nih.gov/pubmed/7606467\|https://www.ncbi.nlm.nih.gov/pubmed/8469773\|https://www.ncbi.nlm.nih.gov/pubmed/7952881\|https://www.ncbi.nlm.nih.gov/pubmed/1705629	Antagonist 2778		0.15 nM [Ki]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:44:55 UTC 2023` Edited by `admin` on `Sat Dec 16 15:44:55 UTC 2023`
Record UNII	9Q3V7W3XDD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CGP-42112

Code

English

L-ISOLEUCINE, N-(3-PYRIDINYLCARBONYL)-L-TYROSYL-N6-(N2-((PHENYLMETHOXY)CARBONYL)-L-ARGINYL)-L-LYSYL-L-HISTIDYL-L-PROLYL-

Common Name

English

L-ISOLEUCINE, N-(1-(N-(N6-(N2-((PHENYLMETHOXY)CARBONYL)-L-ARGINYL)-N2-(N-(3-PYRIDINYLCARBONYL)-L-TYROSYL)-L-LYSYL)-L-HISTIDYL)-L-PROLYL)-

Common Name

English

CGP-42112A

Code

English

N-(3-PYRIDINYLCARBONYL)-L-TYROSYL-N6-(N2-((PHENYLMETHOXY)CARBONYL)-L-ARGINYL)-L-LYSYL-L-HISTIDYL-L-PROLYL-L-ISOLEUCINE

Common Name

English

Code System Code Type Description

FDA UNII

9Q3V7W3XDD