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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H33N5O12
Molecular Weight 583.5451
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RS-112997

SMILES

CO[C@H]1[C@@H](O)[C@@H](O[C@@H]1[C@@H](O[C@H]2OC(=C[C@H](O)[C@@H]2O)C(=O)N[C@H]3CCC[C@@H](C)NC3=O)C(N)=O)N4C=CC(=O)NC4=O

InChI

InChIKey=RVEJXOKUHHMFKS-BPJITGRLSA-N
InChI=1S/C24H33N5O12/c1-9-4-3-5-10(20(35)26-9)27-21(36)12-8-11(30)14(32)23(39-12)41-18(19(25)34)17-16(38-2)15(33)22(40-17)29-7-6-13(31)28-24(29)37/h6-11,14-18,22-23,30,32-33H,3-5H2,1-2H3,(H2,25,34)(H,26,35)(H,27,36)(H,28,31,37)/t9-,10+,11+,14+,15-,16+,17+,18-,22-,23-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
A-500359A
Preferred Name English
RS-112997
Common Name English
.ALPHA.-L-TALOFURANURONAMIDE, 1-DEOXY-5-O-(4-DEOXY-N-((3S,7R)-HEXAHYDRO-7-METHYL-2-OXO-1H-AZEPIN-3-YL)-.BETA.-L-ERYTHRO-HEX-4-ENOPYRANURONAMIDOSYL)-1-(3,4-DIHYDRO-2,4-DIOXO-1(2H)-PYRIMIDINYL)-3-O-METHYL-
Systematic Name English
SQ-997
Code English
Code System Code Type Description
CAS
254449-20-2
Created by admin on Tue Apr 01 16:57:38 GMT 2025 , Edited by admin on Tue Apr 01 16:57:38 GMT 2025
PRIMARY
FDA UNII
671575PXYF
Created by admin on Tue Apr 01 16:57:38 GMT 2025 , Edited by admin on Tue Apr 01 16:57:38 GMT 2025
PRIMARY
PUBCHEM
5495616
Created by admin on Tue Apr 01 16:57:38 GMT 2025 , Edited by admin on Tue Apr 01 16:57:38 GMT 2025
PRIMARY