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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H35NO5S
Molecular Weight 473.625
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AGANEPAG ETHANEDIOL

SMILES

CCCCC[C@H](O)C1=CC=C(C=C1)N2[C@@H](CCCC3=CC=C(S3)C(=O)OCCO)CCC2=O

InChI

InChIKey=VTFVKRFGCDQSBY-REWPJTCUSA-N
InChI=1S/C26H35NO5S/c1-2-3-4-8-23(29)19-9-11-21(12-10-19)27-20(13-16-25(27)30)6-5-7-22-14-15-24(33-22)26(31)32-18-17-28/h9-12,14-15,20,23,28-29H,2-8,13,16-18H2,1H3/t20-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H35NO5S
Molecular Weight 473.625
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
J7L0ZSN36Y
Record Status Validated (UNII)
Record Version