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

Details

Stereochemistry ABSOLUTE
Molecular Formula C50H84N2O16
Molecular Weight 969.2058
Optical Activity UNSPECIFIED
Defined Stereocenters 19 / 19
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOVALERYLSPIRAMYCIN II

SMILES

[H][C@@]1(CC[C@@H]([C@@H](C)O1)N(C)C)O[C@H]2\C=C\C=C\C[C@@H](C)OC(=O)C[C@@H](OC(C)=O)[C@H](OC)[C@@H](O[C@]3([H])O[C@H](C)[C@@H](O[C@@]4([H])C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O4)[C@@H]([C@H]3O)N(C)C)[C@@H](CC=O)C[C@H]2C

InChI

InChIKey=PNMQDIDLWTXQLZ-RZELCZIWSA-N
InChI=1S/C50H84N2O16/c1-28(2)24-39(55)66-48-33(7)62-42(27-50(48,9)58)67-45-32(6)63-49(44(57)43(45)52(12)13)68-46-35(22-23-53)25-29(3)37(65-41-21-20-36(51(10)11)31(5)61-41)19-17-15-16-18-30(4)60-40(56)26-38(47(46)59-14)64-34(8)54/h15-17,19,23,28-33,35-38,41-49,57-58H,18,20-22,24-27H2,1-14H3/b16-15+,19-17+/t29-,30-,31-,32-,33+,35+,36+,37+,38-,41+,42+,43-,44-,45-,46+,47+,48+,49+,50-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ISOVALERYLSPIRAMYCIN II
Common Name English
SHENGJIMYCIN B
Common Name English
LEUCOMYCIN V, 9-O-((2R,5S,6R)-5-(DIMETHYLAMINO)TETRAHYDRO-6-METHYL-2H-PYRAN-2-YL)-, 3-ACETATE 4B-(3-METHYLBUTANOATE)
Systematic Name English
Code System Code Type Description
CAS
848080-53-5
Created by admin on Sat Dec 16 15:46:18 GMT 2023 , Edited by admin on Sat Dec 16 15:46:18 GMT 2023
PRIMARY
PUBCHEM
101485377
Created by admin on Sat Dec 16 15:46:18 GMT 2023 , Edited by admin on Sat Dec 16 15:46:18 GMT 2023
PRIMARY
FDA UNII
MGC06ZKA3G
Created by admin on Sat Dec 16 15:46:18 GMT 2023 , Edited by admin on Sat Dec 16 15:46:18 GMT 2023
PRIMARY