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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H53N5O16
Molecular Weight 739.7657
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MK-2640, GLYCINE-MODIFICATION

SMILES

C[C@@H]1O[C@@H](OCCNC(=O)CN(CC(=O)NCCCCCC(=O)NCC(O)=O)CC(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O

InChI

InChIKey=VZHCELAZYGEDIJ-MJGXHCAUSA-N
InChI=1S/C30H53N5O16/c1-16-23(42)25(44)27(46)29(50-16)48-10-8-32-20(38)14-35(13-19(37)31-7-5-3-4-6-18(36)34-12-22(40)41)15-21(39)33-9-11-49-30-28(47)26(45)24(43)17(2)51-30/h16-17,23-30,42-47H,3-15H2,1-2H3,(H,31,37)(H,32,38)(H,33,39)(H,34,36)(H,40,41)/t16-,17-,23+,24+,25+,26+,27-,28-,29+,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H53N5O16
Molecular Weight 739.7657
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
E9X9KJ24FH
Record Status Validated (UNII)
Record Version