Enlicitide Chloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C82H110FN14O15.Cl
Molecular Weight	1586.287
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Cl-].[H][C@@]12[C@@H]3CCN1C(=O)[C@@H]4CC5=CN(CCCCCCN(CC6=CC=C(CCNC(=O)[C@]7(C)CCCN7C(=O)[C@H](CC8=CC=C(OC)C=C8)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C=C6)C(=O)CCC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)CCCCC[N+](C)(C)C)C(=O)N[C@@H](CC9=CC=CC(CNC(=O)CO3)=C9)C(=O)N4)C%10=CC=C(F)C=C5%10

InChI

InChIKey=CLOLWQCFULXMAR-QQCDJELVSA-N

InChI=1S/C82H109FN14O15.ClH/c1-51-74(103)91-65(47-86-68(99)19-11-10-14-40-97(4,5)6)76(105)88-62-43-56-17-15-18-57(41-56)46-85-70(101)50-112-67-33-39-95-73(67)78(107)92-72(52(2)98)77(106)90-63(42-54-24-27-60(111-7)28-25-54)80(109)96-38-16-34-82(96,3)81(110)84-35-32-53-20-22-55(23-21-53)48-94(71(102)31-30-69(100)87-51)37-13-9-8-12-36-93-49-58(44-64(79(95)108)89-75(62)104)61-45-59(83)26-29-66(61)93;/h15,17-18,20-29,41,45,49,51-52,62-65,67,72-73,98H,8-14,16,19,30-40,42-44,46-48,50H2,1-7H3,(H8-,84,85,86,87,88,89,90,91,92,99,100,101,103,104,105,106,107,110);1H/t51-,52+,62-,63-,64-,65+,67-,72-,73-,82-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C82H110FN14O15
Molecular Weight	1550.834
Charge	1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Cl
Molecular Weight	35.453
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:46:07 GMT 2023` Edited by `admin` on `Sat Dec 16 18:46:07 GMT 2023`
Record UNII	3D2DNA8NXK
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Enlicitide Chloride

Official Name

English

1,4:3,5:4,8-trianhydro[L-alanyl-3-[6-(trimethylazaniumyl)hexanamido]-D-alanyl-3-(aminomethyl)-L-phenylalanyl-1-{6-[{[4-(2- aminoethyl)phenyl]methyl}(3-carboxypropanoyl)amino]hexyl}-5-fluoro-L-tryptophyl- (3S)-3-(carboxymethoxy)-L-prolyl-L-threonyl-O-meth

Systematic Name

English

enlicitide chloride [INN]

Common Name

English

Code System Code Type Description

FDA UNII

3D2DNA8NXK