ANTIPAIN

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H44N10O6
Molecular Weight	604.7017
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C=O

InChI

InChIKey=SDNYTAYICBFYFH-TUFLPTIASA-N

InChI=1S/C27H44N10O6/c1-16(2)21(23(40)34-18(15-38)10-6-12-32-25(28)29)37-22(39)19(11-7-13-33-26(30)31)35-27(43)36-20(24(41)42)14-17-8-4-3-5-9-17/h3-5,8-9,15-16,18-21H,6-7,10-14H2,1-2H3,(H,34,40)(H,37,39)(H,41,42)(H4,28,29,32)(H4,30,31,33)(H2,35,36,43)/t18-,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H44N10O6
Molecular Weight	604.7017
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Bacteriophage encoded virulence factor (Salmonella typhimurium) 2 Target ID: Bacteriophage encoded virulence factor (Salmonella typhimurium) Sources: https://www.ncbi.nlm.nih.gov/pubmed/24531472	Inhibitor 8297
Trypanosome lytic factor-1 2 Target ID: Trypanosome lytic factor-1 Sources: https://www.ncbi.nlm.nih.gov/pubmed/11704271	Inhibitor 8297

PubMed

Title	Date	PubMed
Peptide aldehydes as inhibitors of HIV protease.	1993 Mar 22	8458418
Antiviral effect of oryzacystatin, a proteinase inhibitor in rice, against herpes simplex virus type 1 in vitro and in vivo.	1995 Apr	7785982
Efficacy of serine protease inhibitors against Cryptosporidium parvum infection in a bovine fallopian tube epithelial cell culture system.	1996 Aug	8691375

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:22:13 GMT 2023` Edited by `admin` on `Fri Dec 15 19:22:13 GMT 2023`
Record UNII	47V479BE6L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ANTIPAIN

Common Name

English

L-VALINAMIDE, N2-(((1-CARBOXY-2-PHENYLETHYL)AMINO)CARBONYL)-L-ARGINYL-N-(4-((AMINOIMINOMETHYL)AMINO)-1-FORMYLBUTYL)-

Systematic Name

English

ANTIPAIN [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m12106