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

Details

Stereochemistry ABSOLUTE
Molecular Formula C79H137N17O19
Molecular Weight 1629.0356
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of STENDOMYCIN I

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@H](C)CC)=C\C)[C@@H](C)OC2=O)C(C)C)C(C)C)[C@H](C)O)[C@H](C)CC

InChI

InChIKey=NMIHMNBUALMOFZ-MEWDGPDKSA-N
InChI=1S/C79H137N17O19/c1-20-24-25-26-27-28-29-30-31-32-33-36-56(101)96-39-34-35-54(96)77(113)95(19)65(49(15)99)76(112)82-40-55(100)86-57(42(5)6)69(105)90-60(45(11)21-2)72(108)83-47(13)66(102)84-51(23-4)67(103)92-63-50(16)115-78(114)64(53-37-38-81-79(80-17)94(53)18)93-73(109)61(46(12)22-3)89-68(104)52(41-97)85-74(110)62(48(14)98)91-71(107)59(44(9)10)87-70(106)58(43(7)8)88-75(63)111/h23,42-50,52-54,57-65,97-99H,20-22,24-41H2,1-19H3,(H,80,81)(H,82,112)(H,83,108)(H,84,102)(H,85,110)(H,86,100)(H,87,106)(H,88,111)(H,89,104)(H,90,105)(H,91,107)(H,92,103)(H,93,109)/b51-23-/t45-,46-,47-,48+,49+,50-,52+,53+,54+,57-,58-,59+,60-,61-,62-,63-,64+,65+/m1/s1

HIDE SMILES / InChI

Molecular Formula C79H137N17O19
Molecular Weight 1629.0356
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 18 / 18
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:57:52 GMT 2023
Edited
by admin
on Sat Dec 16 18:57:52 GMT 2023
Record UNII
Y6W6TE4XES
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
STENDOMYCIN I
Common Name English
Code System Code Type Description
FDA UNII
Y6W6TE4XES
Created by admin on Sat Dec 16 18:57:52 GMT 2023 , Edited by admin on Sat Dec 16 18:57:52 GMT 2023
PRIMARY
PUBCHEM
162394587
Created by admin on Sat Dec 16 18:57:52 GMT 2023 , Edited by admin on Sat Dec 16 18:57:52 GMT 2023
PRIMARY