U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

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 V

SMILES

CCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)N(C)[C@@H]([C@H](C)O)C(=O)NCC(=O)N[C@H](C(C)C)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](C)C(=O)N\C(=C/C)C(=O)N[C@@H]2[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC2=O)C(C)C)C(C)C)[C@H](C)O)C(C)C)[C@@H]3CCN=C(NC)N3C

InChI

InChIKey=BSYZEPITIGFSDX-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)66(102)87-58(43(12)21-2)70(106)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)90-69(105)55(40(6)7)84-65(101)49(38-94)82-71(107)59(45(14)95)88-68(104)57(42(10)11)85-67(103)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,80,106)(H,81,99)(H,82,107)(H,83,97)(H,84,101)(H,85,103)(H,86,108)(H,87,102)(H,88,104)(H,89,100)(H,90,105)/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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 17 / 17
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
EUN868ZPY3
Record Status Validated (UNII)
Record Version