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 18 / 18
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of STENDOMYCIN II

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)CCCCCCCCCCCC)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=IMLZRKANSNKLQG-KZOSVTNJSA-N
InChI=1S/C78H135N17O19/c1-20-24-25-26-27-28-29-30-31-32-35-55(100)95-38-33-34-53(95)76(112)94(19)64(48(15)98)75(111)81-39-54(99)85-56(41(5)6)68(104)89-59(44(11)21-2)71(107)82-46(13)65(101)83-50(23-4)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)22-3)88-67(103)51(40-96)84-73(109)61(47(14)97)90-70(106)58(43(9)10)86-69(105)57(42(7)8)87-74(62)110/h23,41-49,51-53,56-64,96-98H,20-22,24-40H2,1-19H3,(H,79,80)(H,81,111)(H,82,107)(H,83,101)(H,84,109)(H,85,99)(H,86,105)(H,87,110)(H,88,103)(H,89,104)(H,90,106)(H,91,102)(H,92,108)/b50-23-/t44-,45-,46-,47+,48+,49-,51+,52+,53+,56-,57-,58+,59-,60-,61-,62-,63+,64+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
STENDOMYCIN II
Common Name English
Code System Code Type Description
FDA UNII
5XB28E4Z26
Created by admin on Sat Dec 16 19:05:37 GMT 2023 , Edited by admin on Sat Dec 16 19:05:37 GMT 2023
PRIMARY
PUBCHEM
162394594
Created by admin on Sat Dec 16 19:05:37 GMT 2023 , Edited by admin on Sat Dec 16 19:05:37 GMT 2023
PRIMARY