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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H38N2O10
Molecular Weight 598.6408
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MHT-297

SMILES

CCO[C@H]1CCN(CC2=C(OC)C=C(C)C3=C2C=CN3)[C@@H](C1)C4=CC=C(C=C4)C(=O)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O

InChI

InChIKey=AICDTHCACKMXPN-KIBNXESQSA-N
InChI=1S/C31H38N2O10/c1-4-41-19-10-12-33(15-21-20-9-11-32-24(20)16(2)13-23(21)40-3)22(14-19)17-5-7-18(8-6-17)30(39)43-31-27(36)25(34)26(35)28(42-31)29(37)38/h5-9,11,13,19,22,25-28,31-32,34-36H,4,10,12,14-15H2,1-3H3,(H,37,38)/t19-,22-,25-,26-,27+,28-,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H38N2O10
Molecular Weight 598.6408
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
LQ2V2DWJ9B
Record Status Validated (UNII)
Record Version