Lefleuganan

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C62H102FN11O10
Molecular Weight	1180.5394
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C[C@H](NC(=O)[C@H](CCC1CCCCC1)NC(=O)[C@@H]2CCCN2C(=O)C3=CC=C(F)C=C3)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC4(CN(C)C)CCC4

InChI

InChIKey=YAKYXJJMYOZOCV-KUJURARGSA-N

InChI=1S/C62H102FN11O10/c1-38(2)34-45(51(77)67-47(36-40(5)6)53(79)71-61(11,12)58(84)72-59(7,8)56(82)64-32-29-49(75)69-62(30-19-31-62)37-73(13)14)68-57(83)60(9,10)70-52(78)46(35-39(3)4)66-50(76)44(28-23-41-20-16-15-17-21-41)65-54(80)48-22-18-33-74(48)55(81)42-24-26-43(63)27-25-42/h24-27,38-41,44-48H,15-23,28-37H2,1-14H3,(H,64,82)(H,65,80)(H,66,76)(H,67,77)(H,68,83)(H,69,75)(H,70,78)(H,71,79)(H,72,84)/t44-,45-,46-,47-,48-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C62H102FN11O10
Molecular Weight	1180.5394
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:23:23 UTC 2023` Edited by `admin` on `Sat Dec 16 18:23:23 UTC 2023`
Record UNII	3F27DMT92U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Lefleuganan

Official Name

English

1-(4-Fluorobenzoyl)-L-prolyl-(αS)-α-aminocyclohexanebutanoyl-L-leucyl-2-methylalanyl-L-leucyl-L-leucyl-2-methylalanyl-2-methylalanyl-N-[1-[(dimethylamino)methyl]cyclobutyl]-β-alaninamide

Systematic Name

English

1-(4-fluorobenzoyl)-L-prolyl-(2S)-2-amino-4-cyclohexylbutanoyl-L-leucyl-2-methylalanyl-L-leucyl-L-leucyl-2-methylalanyl-2-methylalanyl-N1-{1-[(dimethylamino)methyl]cyclobutyl}-β-alaninamide

Systematic Name

English

lefleuganan [INN]

Common Name

English

β-Alaninamide, 1-(4-fluorobenzoyl)-L-prolyl-(αS)-α-aminocyclohexanebutanoyl-L-leucyl-2-methylalanyl-L-leucyl-L-leucyl-2-methylalanyl-2-methylalanyl-N-[1-[(dimethylamino)methyl]cyclobutyl]-

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

825621