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

Details

Stereochemistry ABSOLUTE
Molecular Formula C53H90N14O16
Molecular Weight 1179.3659
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SPX-101

SMILES

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@H](C)C(N)=O

InChI

InChIKey=GHHZWRGZMXHMIQ-DZLDEHGNSA-N
InChI=1S/C53H90N14O16/c1-12-26(6)40(64-50(80)37-16-13-19-66(37)52(82)35(22-25(4)5)63-45(75)30(10)58-43(73)27(7)54)53(83)67-20-14-15-36(67)49(79)62-33(21-24(2)3)47(77)61-34(23-39(70)71)48(78)60-32(17-18-38(55)69)46(76)65-41(31(11)68)51(81)59-29(9)44(74)57-28(8)42(56)72/h24-37,40-41,68H,12-23,54H2,1-11H3,(H2,55,69)(H2,56,72)(H,57,74)(H,58,73)(H,59,81)(H,60,78)(H,61,77)(H,62,79)(H,63,75)(H,64,80)(H,65,76)(H,70,71)/t26-,27+,28+,29+,30+,31+,32-,33-,34-,35-,36-,37-,40-,41-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SPX-101
Code English
D-Ala-D-Ala-Leu-Pro-Ile-Pro-Leu-Asp-Gln-Thr-D-Ala-D-Ala-NH2
Common Name English
Code System Code Type Description
FDA UNII
A6KAB92LQ7
Created by admin on Sat Dec 16 20:18:03 GMT 2023 , Edited by admin on Sat Dec 16 20:18:03 GMT 2023
PRIMARY
CAS
2219362-20-4
Created by admin on Sat Dec 16 20:18:03 GMT 2023 , Edited by admin on Sat Dec 16 20:18:03 GMT 2023
PRIMARY