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

Details

Stereochemistry ABSOLUTE
Molecular Formula C93H135N21O29S2
Molecular Weight 2075.32
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Marlumotide

SMILES

CSCC[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CC=C(O)C=C5)C(=O)N[C@@H](CC(C)C)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(O)=O

InChI

InChIKey=NEPOVVIIZSDRTL-XUVMKQETSA-N
InChI=1S/C93H135N21O29S2/c1-47(2)36-60(82(131)101-58(28-30-75(123)124)79(128)110-67(45-117)93(142)143)104-86(135)68(46-144)111-85(134)66(44-116)109-89(138)71-18-13-33-113(71)91(140)64(37-48(3)4)107-84(133)62(39-53-21-25-55(119)26-22-53)105-87(136)69-16-11-32-112(69)90(139)50(6)99-81(130)63(41-73(96)121)106-88(137)70-17-12-34-114(70)92(141)65(40-51-14-9-8-10-15-51)108-80(129)59(31-35-145-7)102-83(132)61(38-52-19-23-54(118)24-20-52)103-76(125)49(5)98-78(127)57(27-29-72(95)120)100-74(122)42-97-77(126)56(94)43-115/h8-10,14-15,19-26,47-50,56-71,115-119,144H,11-13,16-18,27-46,94H2,1-7H3,(H2,95,120)(H2,96,121)(H,97,126)(H,98,127)(H,99,130)(H,100,122)(H,101,131)(H,102,132)(H,103,125)(H,104,135)(H,105,136)(H,106,137)(H,107,133)(H,108,129)(H,109,138)(H,110,128)(H,111,134)(H,123,124)(H,142,143)/t49-,50-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Marlumotide
Common Name English
WT1-122A1 LONG
Common Name English
marlumotide [INN]
Common Name English
SER-GLY-GLN-ALA-TYR-MET-PHE-PRO-ASN-ALA-PRO-TYR-LEU-PRO-SER-CYS-LEU-GLU-SER
Common Name English
WT-1 122 LONG
Common Name English
Code System Code Type Description
INN
12586
Created by admin on Sat Dec 16 11:30:32 GMT 2023 , Edited by admin on Sat Dec 16 11:30:32 GMT 2023
PRIMARY
NCI_THESAURUS
C199071
Created by admin on Sat Dec 16 11:30:32 GMT 2023 , Edited by admin on Sat Dec 16 11:30:32 GMT 2023
PRIMARY
FDA UNII
8ER98W0K2C
Created by admin on Sat Dec 16 11:30:32 GMT 2023 , Edited by admin on Sat Dec 16 11:30:32 GMT 2023
PRIMARY
CAS
952720-86-4
Created by admin on Sat Dec 16 11:30:32 GMT 2023 , Edited by admin on Sat Dec 16 11:30:32 GMT 2023
PRIMARY
PUBCHEM
121490080
Created by admin on Sat Dec 16 11:30:32 GMT 2023 , Edited by admin on Sat Dec 16 11:30:32 GMT 2023
PRIMARY