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

Details

Stereochemistry ABSOLUTE
Molecular Formula C78H135N17O19
Molecular Weight 1615.009
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of STENDOMYCIN III

SMILES

[H][C@]1(CCN=C(NC)N1C)[C@]2([H])NC(=O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C(\NC(=O)[C@@H](C)NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@H]([C@H](C)O)N(C)C(=O)[C@@H]3CCCN3C(=O)CCCCCCCCCCCCC)C(C)C)C(C)C)=C\C)[C@@H](C)OC2=O)C(C)C)C(C)C)[C@H](C)O)[C@H](C)CC

InChI

InChIKey=AJJHONGATJUGKR-PCNPGKORSA-N
InChI=1S/C78H135N17O19/c1-20-23-24-25-26-27-28-29-30-31-32-35-55(100)95-38-33-34-53(95)76(112)94(19)64(48(15)98)75(111)81-39-54(99)85-56(41(4)5)69(105)86-57(42(6)7)68(104)82-46(13)65(101)83-50(22-3)66(102)91-62-49(16)114-77(113)63(52-36-37-80-78(79-17)93(52)18)92-72(108)60(45(12)21-2)89-67(103)51(40-96)84-73(109)61(47(14)97)90-71(107)59(44(10)11)87-70(106)58(43(8)9)88-74(62)110/h22,41-49,51-53,56-64,96-98H,20-21,23-40H2,1-19H3,(H,79,80)(H,81,111)(H,82,104)(H,83,101)(H,84,109)(H,85,99)(H,86,105)(H,87,106)(H,88,110)(H,89,103)(H,90,107)(H,91,102)(H,92,108)/b50-22-/t45-,46-,47+,48+,49-,51+,52+,53+,56-,57-,58-,59+,60-,61-,62-,63+,64+/m1/s1

HIDE SMILES / InChI

Molecular Formula C78H135N17O19
Molecular Weight 1615.009
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 17 / 17
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:51:53 GMT 2023
Edited
by admin
on Sat Dec 16 18:51:53 GMT 2023
Record UNII
6LF9WX4ABX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
STENDOMYCIN III
Common Name English
Code System Code Type Description
PUBCHEM
162394617
Created by admin on Sat Dec 16 18:51:53 GMT 2023 , Edited by admin on Sat Dec 16 18:51:53 GMT 2023
PRIMARY
FDA UNII
6LF9WX4ABX
Created by admin on Sat Dec 16 18:51:53 GMT 2023 , Edited by admin on Sat Dec 16 18:51:53 GMT 2023
PRIMARY