PMX-53

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C47H65N11O7
Molecular Weight	896.0885
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H]2CCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC3=CNC4=C3C=CC=C4)NC(=O)[C@@H](CC5CCCCC5)NC(=O)[C@@H]6CCCN6C2=O

InChI

InChIKey=YOKBGCTZYPOSQM-HPSWDUTRSA-N

InChI=1S/C47H65N11O7/c1-29(59)53-37(25-30-13-4-2-5-14-30)42(61)55-36-20-11-22-50-41(60)35(19-10-23-51-47(48)49)54-44(63)39(27-32-28-52-34-18-9-8-17-33(32)34)56-43(62)38(26-31-15-6-3-7-16-31)57-45(64)40-21-12-24-58(40)46(36)65/h2,4-5,8-9,13-14,17-18,28,31,35-40,52H,3,6-7,10-12,15-16,19-27H2,1H3,(H,50,60)(H,53,59)(H,54,63)(H,55,61)(H,56,62)(H,57,64)(H4,48,49,51)/t35-,36-,37-,38+,39-,40-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C47H65N11O7
Molecular Weight	896.0885
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Potent cyclic antagonists of the complement C5a receptor on human polymorphonuclear leukocytes. Relationships between structures and activity.	2004-04	15044616
Species dependence for binding of small molecule agonist and antagonists to the C5a receptor on polymorphonuclear leukocytes.	2001-06	11403208

Patents

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:02:53 GMT 2025` Edited by `admin` on `Wed Apr 02 08:02:53 GMT 2025`
Record UNII	FBK4LNR4Q7
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PMX53

Preferred Name

English

PMX-53

Code

English

L-Arginine, N-acetyl-L-phenylalanyl-L-ornithyl-L-prolyl-3-cyclohexyl-D-alanyl-L-tryptophyl-, (6?2)-lactam

Systematic Name

English

(2S)-2-acetamido-N-[(3S,9S,12S,15R,18S)-15-(cyclohexylmethyl)-9-[3-(diaminomethylideneamino)propyl]-12-(1H-indol-3-ylmethyl)-2,8,11,14,17-pentaoxo-1,7,10,13,16-pentazabicyclo[16.3.0]henicosan-3-yl]-3-phenylpropanamide

Systematic Name

English

Code System Code Type Description

FDA UNII

FBK4LNR4Q7

Created by admin on Wed Apr 02 08:02:53 GMT 2025 , Edited by admin on Wed Apr 02 08:02:53 GMT 2025

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CAS

219639-75-5

Created by admin on Wed Apr 02 08:02:53 GMT 2025 , Edited by admin on Wed Apr 02 08:02:53 GMT 2025

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PUBCHEM

6918468

Created by admin on Wed Apr 02 08:02:53 GMT 2025 , Edited by admin on Wed Apr 02 08:02:53 GMT 2025

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