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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H44N4O5
Molecular Weight 504.6621
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIHEXA

SMILES

CCCCCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCCCCCC(N)=O

InChI

InChIKey=XEUVNVNAVKZSPT-JTJYXVOQSA-N
InChI=1S/C27H44N4O5/c1-4-6-8-12-24(34)30-22(18-20-13-15-21(32)16-14-20)26(35)31-25(19(3)5-2)27(36)29-17-10-7-9-11-23(28)33/h13-16,19,22,25,32H,4-12,17-18H2,1-3H3,(H2,28,33)(H,29,36)(H,30,34)(H,31,35)/t19-,22-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H44N4O5
Molecular Weight 504.6621
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
9WYX65A5C2
Record Status Validated (UNII)
Record Version