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Details

Stereochemistry RACEMIC
Molecular Formula C41H42N4O8
Molecular Weight 718.7942
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CL-315585

SMILES

COC(=O)CCC1=C(C)C2=NC1=CC3=C(CCC(O)=O)C(C)=C(N3)C=C4N=C(C=C5NC(=C2)C(C=C)=C5C)C6=CC=C([C@@H](C(=O)OC)[C@@]46C)C(=O)OC

InChI

InChIKey=CABKTHJNHVBKCC-MXVXOLGGSA-N
InChI=1S/C41H42N4O8/c1-9-23-20(2)29-17-34-27-13-10-26(39(49)52-7)38(40(50)53-8)41(27,5)35(45-34)19-30-22(4)24(11-14-36(46)47)32(44-30)18-33-25(12-15-37(48)51-6)21(3)28(43-33)16-31(23)42-29/h9-10,13,16-19,38,42,44H,1,11-12,14-15H2,2-8H3,(H,46,47)/b28-16-,29-17-,30-19-,31-16-,32-18-,33-18-,34-17-,35-19-/t38-,41+/m0/s1

HIDE SMILES / InChI

Molecular Formula C41H40N4O8
Molecular Weight 716.7783
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
54JVX48G8K
Record Status Validated (UNII)
Record Version