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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H54F2N10O10
Molecular Weight 872.9146
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOTA-FAPI-04

SMILES

OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)N2CCN(CCCOC3=CC=C4N=CC=C(C(=O)NCC(=O)N5CC(F)(F)C[C@H]5C#N)C4=C3)CC2)CCN(CC(O)=O)CC1

InChI

InChIKey=ICWDAESAANBIGG-LJAQVGFWSA-N
InChI=1S/C40H54F2N10O10/c41-40(42)21-29(22-43)52(28-40)34(53)23-45-39(61)31-4-5-44-33-3-2-30(20-32(31)33)62-19-1-6-46-15-17-51(18-16-46)35(54)24-47-7-9-48(25-36(55)56)11-13-50(27-38(59)60)14-12-49(10-8-47)26-37(57)58/h2-5,20,29H,1,6-19,21,23-28H2,(H,45,61)(H,55,56)(H,57,58)(H,59,60)/t29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C40H54F2N10O10
Molecular Weight 872.9146
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
D7X5DKW7N9
Record Status Validated (UNII)
Record Version