SULANEMADLIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C95H140N20O23
Molecular Weight	1930.2483
Optical Activity	UNSPECIFIED
Defined Stereocenters	18 / 18
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@]2(C)CCCCCC\C=C\CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC3=CNC4=CC=CC=C34)NC(=O)[C@H](CC5=CC=C(O)C=C5)NC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(N)=O

InChI

InChIKey=VDLGAZDAHPLOIR-RLPDZDIMSA-N

InChI=1S/C95H140N20O23/c1-50(2)44-69(106-60(13)117)88(133)113-76(59(12)116)91(136)111-72(46-61-30-24-23-25-31-61)90(135)115-95(15)43-29-22-20-18-16-17-19-21-28-42-94(14,92(137)105-58(11)82(127)103-56(9)81(126)102-55(8)80(125)101-54(7)79(124)100-53(6)78(123)99-52(5)77(97)122)114-89(134)70(45-51(3)4)108-84(129)67(38-40-74(96)119)107-83(128)57(10)104-86(131)73(48-63-49-98-66-33-27-26-32-65(63)66)110-87(132)71(47-62-34-36-64(118)37-35-62)109-85(130)68(112-93(95)138)39-41-75(120)121/h17,19,23-27,30-37,49-59,67-73,76,98,116,118H,16,18,20-22,28-29,38-48H2,1-15H3,(H2,96,119)(H2,97,122)(H,99,123)(H,100,124)(H,101,125)(H,102,126)(H,103,127)(H,104,131)(H,105,137)(H,106,117)(H,107,128)(H,108,129)(H,109,130)(H,110,132)(H,111,136)(H,112,138)(H,113,133)(H,114,134)(H,115,135)(H,120,121)/b19-17+/t52-,53+,54+,55+,56+,57+,58+,59-,67+,68+,69+,70+,71+,72+,73+,76+,94+,95-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C95H140N20O23
Molecular Weight	1930.2483
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	18 / 18
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:57:45 GMT 2023` Edited by `admin` on `Sat Dec 16 10:57:45 GMT 2023`
Record UNII	6BGF28R54M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SULANEMADLIN

Official Name

English

SULANEMADLIN [USAN]

Common Name

English

ALRN-6924

Code

English

ALRN6924

Code

English

ALRN 6924 [WHO-DD]

Common Name

English

sulanemadlin [INN]

Common Name

English

C2.11,C2.4-[(4E)-undec-4-ene-1,11-diyl](N-acetyl-Lleucyl-L-threonyl-L-phenylalanyl-L-alanyl-L-α-glutamylL-tyrosyl-L-tryptophyl-L-alanyl-L-glutaminyl-L-leucyl-D-alanyl-L-alanyl-L-alanyl-L-alanyl-L-alanyl-L-alanyl-D-alaninamide)

Common Name

English

D-Alaninamide, 42,112-(7E)-7-undecene-1,11-diyl-N-acetyl-L-leucyl-Lthreonyl-L-phenylalanyl-L-alanyl-L-α-glutamyl-L-tyrosyl-L-tryptophyl-L-alanyl-L-glutaminyl-L-leucyl-D-alanyl-L-alanyl-L-alanyl-L-alanyl-L-alanyl-L-alanyl-

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

565316