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

Details

Stereochemistry ABSOLUTE
Molecular Formula C48H82N2O15
Molecular Weight 927.1691
Optical Activity UNSPECIFIED
Defined Stereocenters 19 / 19
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOVALERYLSPIRAMYCIN I

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](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=GCIQAGXAZPUQNA-YDPAJNKASA-N
InChI=1S/C48H82N2O15/c1-27(2)23-37(53)63-46-32(7)60-40(26-48(46,8)56)64-43-31(6)61-47(42(55)41(43)50(11)12)65-44-33(21-22-51)24-28(3)36(62-39-20-19-34(49(9)10)30(5)59-39)18-16-14-15-17-29(4)58-38(54)25-35(52)45(44)57-13/h14-16,18,22,27-36,39-47,52,55-56H,17,19-21,23-26H2,1-13H3/b15-14+,18-16+/t28-,29-,30-,31-,32+,33+,34+,35-,36+,39+,40+,41-,42-,43-,44+,45+,46+,47+,48-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ISOVALERYLSPIRAMYCIN I
Common Name English
LEUCOMYCIN V, 9-O-((2R,5S,6R)-5-(DIMETHYLAMINO)TETRAHYDRO-6-METHYL-2H-PYRAN-2-YL)-, 4B-(3-METHYLBUTANOATE)
Systematic Name English
SHENGJIMYCIN E
Common Name English
Code System Code Type Description
CAS
267662-22-6
Created by admin on Sat Dec 16 15:34:52 GMT 2023 , Edited by admin on Sat Dec 16 15:34:52 GMT 2023
PRIMARY
FDA UNII
NG44RN3RP8
Created by admin on Sat Dec 16 15:34:52 GMT 2023 , Edited by admin on Sat Dec 16 15:34:52 GMT 2023
PRIMARY
PUBCHEM
101485376
Created by admin on Sat Dec 16 15:34:52 GMT 2023 , Edited by admin on Sat Dec 16 15:34:52 GMT 2023
PRIMARY