DT2216 | CAS No. 2365172-42-3

DT2216

Basic Information

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CAS Number

2365172-42-3

Molecular Formula

C77H96ClF3N10O10S4

Molecular Weight

1542.39 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC(C)(C)[C@H](NC(=O)CCCCCC(=O)N1CCN(CC[C@H](CSC2C=CC=CC=2)NC2=CC=C(C=C2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)C2C=CC(=CC=2)N2CCN(CC2)CC2CC(C)(C)CCC=2C2C=CC(Cl)=CC=2)CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1C=CC(=CC=1)C1SC=NC=1C

InChI

InChI=1S/C77H96ClF3N10O10S4/c1-51(53-18-20-55(21-19-53)70-52(2)82-50-103-70)83-73(96)66-44-61(92)48-91(66)74(97)71(75(3,4)5)85-68(93)16-12-9-13-17-69(94)90-42-36-87(37-43-90)35-33-59(49-102-62-14-10-8-11-15-62)84-65-31-30-63(45-67(65)104(98,99)77(79,80)81)105(100,101)86-72(95)56-24-28-60(29-25-56)89-40-38-88(39-41-89)47-57-46-76(6,7)34-32-64(57)54-22-26-58(78)27-23-54/h8,10-11,14-15,18-31,45,50-51,59,61,66,71,84,92H,9,12-13,16-17,32-44,46-49H2,1-7H3,(H,83,96)(H,85,93)(H,86,95)/t51-,59+,61+,66-,71+/m0/s1

InChIKey

PXVFFBGSTYQHRO-REQIQPEASA-N

LogP

12.397719999999985

Topological Polar Surface Area

251.07 Å²

Hydrogen Bond Donor/Acceptor

5 / 20

Complexity

3130

Synonyms & References

English

DT2216
(2s,4r)-1-((s)-2-(7-(4-((r)-3-((4-(N-(4-(4-((4'-chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoyl)sulfamoyl)-2-((trifluoromethyl)sulfonyl)phenyl)amino)-4-(phenylthio)butyl)piperazin-1-yl)-7-oxoheptanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((s)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
(2S,4R)-1-[(2S)-2-[[7-[4-[(3R)-3-[4-[[4-[4-[[2-(4-Chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]p
(2S,4R)-1-[(2S)-2-[[7-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl