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Details

Stereochemistry ABSOLUTE
Molecular Formula C77H133N17O19
Molecular Weight 1600.9824
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of STENDOMYCIN IV

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@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=RCCXHHRCFUYWLU-CZAJWPQRSA-N
InChI=1S/C77H133N17O19/c1-20-24-25-26-27-28-29-30-31-34-54(99)94-37-32-33-52(94)75(111)93(19)63(47(15)97)74(110)80-38-53(98)84-55(40(5)6)67(103)88-58(43(11)21-2)70(106)81-45(13)64(100)82-49(23-4)65(101)90-61-48(16)113-76(112)62(51-35-36-79-77(78-17)92(51)18)91-71(107)59(44(12)22-3)87-66(102)50(39-95)83-72(108)60(46(14)96)89-69(105)57(42(9)10)85-68(104)56(41(7)8)86-73(61)109/h23,40-48,50-52,55-63,95-97H,20-22,24-39H2,1-19H3,(H,78,79)(H,80,110)(H,81,106)(H,82,100)(H,83,108)(H,84,98)(H,85,104)(H,86,109)(H,87,102)(H,88,103)(H,89,105)(H,90,101)(H,91,107)/b49-23-/t43-,44-,45-,46+,47+,48-,50+,51+,52+,55-,56-,57+,58-,59-,60-,61-,62+,63+/m1/s1

HIDE SMILES / InChI

Molecular Formula C77H133N17O19
Molecular Weight 1600.9824
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 18:59:29 GMT 2023
Edited
by admin
on Sat Dec 16 18:59:29 GMT 2023
Record UNII
4Y3PTM9APH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
STENDOMYCIN IV
Common Name English
Code System Code Type Description
FDA UNII
4Y3PTM9APH
Created by admin on Sat Dec 16 18:59:29 GMT 2023 , Edited by admin on Sat Dec 16 18:59:29 GMT 2023
PRIMARY
PUBCHEM
157010700
Created by admin on Sat Dec 16 18:59:29 GMT 2023 , Edited by admin on Sat Dec 16 18:59:29 GMT 2023
PRIMARY
CAS
2226374-56-5
Created by admin on Sat Dec 16 18:59:29 GMT 2023 , Edited by admin on Sat Dec 16 18:59:29 GMT 2023
PRIMARY