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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H52N8O17
Molecular Weight 856.8308
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3R)-3-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-18-amino-6-[(1S,2S)-2-(3,4-dihydroxyphenyl)-1,2-dihydroxyethyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-3-

SMILES

C[C@@H](O)[C@@H]1NC(=O)[C@@H](N)C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)C[N@]2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@@H](O)C[N@]3C1=O)[C@H](O)[C@@H](O)C4=CC(O)=C(O)C=C4)[C@H](O)CC(N)=O

InChI

InChIKey=XQEMNEABNQCDNG-SPSZOZLFSA-N
InChI=1S/C35H52N8O17/c1-11-9-43-25(26(11)51)33(58)41-31(56)20(49)7-15(36)29(54)38-22(12(2)44)34(59)42-10-14(45)6-16(42)30(55)40-24(28(53)27(52)13-3-4-17(46)18(47)5-13)32(57)39-23(35(43)60)19(48)8-21(37)50/h3-5,11-12,14-16,19-20,22-28,31,44-49,51-53,56H,6-10,36H2,1-2H3,(H2,37,50)(H,38,54)(H,39,57)(H,40,55)(H,41,58)/t11-,12+,14+,15-,16-,19+,20+,22-,23-,24-,25-,26-,27-,28-,31+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(3R)-3-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-18-amino-6-[(1S,2S)-2-(3,4-dihydroxyphenyl)-1,2-dihydroxyethyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-3-
Systematic Name English
(3R)-3-[(1R,3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-18-amino-6-[(1S,2S)-2-(3,4-dihydroxyphenyl)-1,2-dihydroxyethyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0<sup>9,13</sup
Preferred Name English
(R)-3-[(1R,3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-18-Amino-6-[(1S,2S)-2-(3,4-dihydroxyphenyl)-1,2-dihydroxyethyl]-11,20,21,25-tetrahydroxy-15-[(R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0<sup>9,13</sup>]
Systematic Name English
Code System Code Type Description
FDA UNII
486CJC4S7S
Created by admin on Wed Apr 02 19:17:21 GMT 2025 , Edited by admin on Wed Apr 02 19:17:21 GMT 2025
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PUBCHEM
117683370
Created by admin on Wed Apr 02 19:17:21 GMT 2025 , Edited by admin on Wed Apr 02 19:17:21 GMT 2025
PRIMARY