N~2~-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N~6~-[(4,7,10-tris{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1,4,7,10-tetraazacyclododecan-1-yl)acetyl]-L-lysine

Basic Information

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CAS Number

479081-06-6

Molecular Formula

C49H74N6O11

Molecular Weight

923.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC(C)(C)OC(=O)CN1CCN(CC(=O)NCCCC[C@H](NC(=O)OCC2C3=CC=CC=C3C3=C2C=CC=C3)C(O)=O)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1

InChI

InChI=1S/C49H74N6O11/c1-47(2,3)64-42(57)31-53-24-22-52(23-25-54(32-43(58)65-48(4,5)6)27-29-55(28-26-53)33-44(59)66-49(7,8)9)30-41(56)50-21-15-14-20-40(45(60)61)51-46(62)63-34-39-37-18-12-10-16-35(37)36-17-11-13-19-38(36)39/h10-13,16-19,39-40H,14-15,20-34H2,1-9H3,(H,50,56)(H,51,62)(H,60,61)/t40-/m0/s1

InChIKey

ILBBUDAYWABEFI-FAIXQHPJSA-N

LogP

4.51150000000001

Topological Polar Surface Area

196.58999999999997 Å²

Hydrogen Bond Donor/Acceptor

3 / 17

Complexity

1520

Synonyms & References

English

Fmoc-L-Lys-mono-amide-DOTA-tris(t-Bu ester)(B-275)
Fmoc-L-Lys-mono-amide-DOTA-tris(t-Bu ester)
Fmoc-L-Lys-mono amide DOTA(tri tert-Bu ester)
(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-6-(2-(4,7,10-tris(2-(tert-butoxy)-2-oxoethyl)-1,4,
1, 4,7,10-Tetraazacyclododecane-1, 4, 7-tris-acetic acid-10-maleimidoethylacetamide
Fmoc-L-Lys-mono-amide-DOTA-tris(t-Butyl ester)
1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-[2-[[(5S)-5-carboxy-5-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]pentyl]amino]-2-oxoethyl]-, 1,4,7-tris(1,1-dimethylethyl) ester
DOTA-(COOt-Bu)3-NHFmoc-Lys

MDL Number

MFCD31382421

FAQ

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