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Details

Stereochemistry ABSOLUTE
Molecular Formula C76H131N17O19
Molecular Weight 1586.9558
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of STENDOMYCIN VI

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)CCCCCCCCCCC)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=BCJRIEGWLZTHPX-SNWSSYJASA-N
InChI=1S/C76H131N17O19/c1-20-23-24-25-26-27-28-29-30-33-53(98)93-36-31-32-51(93)74(110)92(19)62(46(15)96)73(109)79-37-52(97)83-54(39(4)5)67(103)84-55(40(6)7)66(102)80-44(13)63(99)81-48(22-3)64(100)89-60-47(16)112-75(111)61(50-34-35-78-76(77-17)91(50)18)90-70(106)58(43(12)21-2)87-65(101)49(38-94)82-71(107)59(45(14)95)88-69(105)57(42(10)11)85-68(104)56(41(8)9)86-72(60)108/h22,39-47,49-51,54-62,94-96H,20-21,23-38H2,1-19H3,(H,77,78)(H,79,109)(H,80,102)(H,81,99)(H,82,107)(H,83,97)(H,84,103)(H,85,104)(H,86,108)(H,87,101)(H,88,105)(H,89,100)(H,90,106)/b48-22-/t43-,44-,45+,46+,47-,49+,50+,51+,54-,55-,56-,57+,58-,59-,60-,61+,62+/m1/s1

HIDE SMILES / InChI

Molecular Formula C76H131N17O19
Molecular Weight 1586.9558
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
8Q5F83A89K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
STENDOMYCIN VI
Common Name English
Code System Code Type Description
FDA UNII
8Q5F83A89K
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
CAS
2226374-60-1
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
PUBCHEM
157010685
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