U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C90H163N27O25S
Molecular Weight 2055.488
Optical Activity UNSPECIFIED
Defined Stereocenters 20 / 20
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FEXAPOTIDE

SMILES

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI

InChIKey=BROGCIMRGWLMOO-SJPGHYFNSA-N
InChI=1S/C90H163N27O25S/c1-15-48(12)68(95)84(137)110-60(41-67(123)124)81(134)105-55(28-31-64(93)119)75(128)104-56(29-32-65(94)120)77(130)115-69(47(10)11)85(138)111-59(39-45(6)7)80(133)113-62(42-118)82(135)103-54(27-23-37-101-90(98)99)76(129)116-70(49(13)16-2)86(139)108-52(25-19-21-35-92)73(126)109-58(38-44(4)5)79(132)106-57(30-33-66(121)122)78(131)117-71(50(14)17-3)87(140)107-51(24-18-20-34-91)72(125)102-53(26-22-36-100-89(96)97)74(127)114-63(43-143)83(136)112-61(88(141)142)40-46(8)9/h44-63,68-71,118,143H,15-43,91-92,95H2,1-14H3,(H2,93,119)(H2,94,120)(H,102,125)(H,103,135)(H,104,128)(H,105,134)(H,106,132)(H,107,140)(H,108,139)(H,109,126)(H,110,137)(H,111,138)(H,112,136)(H,113,133)(H,114,127)(H,115,130)(H,116,129)(H,117,131)(H,121,122)(H,123,124)(H,141,142)(H4,96,97,100)(H4,98,99,101)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,68-,69-,70-,71-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
FEXAPOTIDE
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
NYM-4805
Code English
L-LEUCINE, L-ISOLEUCYL-L-.ALPHA.-ASPARTYL-L-GLUTAMINYL-L-GLUTAMINYL-L-VALYL-L-LEUCYL-L-SERYL-L-ARGINYL-L-ISOLEUCYL-L-LYSYL-L-LEUCYL-L-.ALPHA.-GLUTAMYL-L-ISOLEUCYL-L-LYSYL-L-ARGINYL-L-CYSTEINYL-
Systematic Name English
ILE-ASP-GLN-GLN-VAL-LEU-SER-ARG-ILE-LYS-LEU-GLU-ILE-LYS-ARG-CYS-LEU
Common Name English
NYM4805
Code English
NX-1207
Code English
FEXAPOTIDE [USAN]
Common Name English
fexapotide [INN]
Common Name English
Fexapotide [WHO-DD]
Common Name English
Classification Tree Code System Code
WHO-ATC G04CX04
Created by admin on Sat Dec 16 02:12:31 UTC 2023 , Edited by admin on Sat Dec 16 02:12:31 UTC 2023
Code System Code Type Description
PUBCHEM
16207730
Created by admin on Sat Dec 16 02:12:31 UTC 2023 , Edited by admin on Sat Dec 16 02:12:31 UTC 2023
PRIMARY
NCI_THESAURUS
C174582
Created by admin on Sat Dec 16 02:12:31 UTC 2023 , Edited by admin on Sat Dec 16 02:12:31 UTC 2023
PRIMARY
CAS
492447-54-8
Created by admin on Sat Dec 16 02:12:31 UTC 2023 , Edited by admin on Sat Dec 16 02:12:31 UTC 2023
PRIMARY
INN
10199
Created by admin on Sat Dec 16 02:12:31 UTC 2023 , Edited by admin on Sat Dec 16 02:12:31 UTC 2023
PRIMARY
ChEMBL
CHEMBL3545061
Created by admin on Sat Dec 16 02:12:31 UTC 2023 , Edited by admin on Sat Dec 16 02:12:31 UTC 2023
PRIMARY
FDA UNII
9L8TV1O7E0
Created by admin on Sat Dec 16 02:12:31 UTC 2023 , Edited by admin on Sat Dec 16 02:12:31 UTC 2023
PRIMARY
DRUG BANK
DB05493
Created by admin on Sat Dec 16 02:12:31 UTC 2023 , Edited by admin on Sat Dec 16 02:12:31 UTC 2023
PRIMARY
USAN
CD-04
Created by admin on Sat Dec 16 02:12:31 UTC 2023 , Edited by admin on Sat Dec 16 02:12:31 UTC 2023
PRIMARY