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[(2-{[(5S,8S,10aR)-3-Acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxo-2-pentanyl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphon ic acid (non-preferred name) | CAS No. 2429877-30-3

[(2-{[(5S,8S,10aR)-3-Acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxo-2-pentanyl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphon ic acid (non-preferred name)

Basic Information

Chemical_Structure_Of

CAS Number

2429877-30-3

Molecular Formula

C40H44F2N7O9P

Molecular Weight

835.79 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

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 Insecticides

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

FC(C1=CC2=C(NC(C(N[C@H]3CN(C(C)=O)CC[C@](CC[C@H]4[C@@](N[C@@H](CCC(N)=O)C(NC(C6=CC=CC=C6)C5=CC=CC=C5)=O)=O)([H])N4C3=O)=O)=C2)C=C1)(P(O)(O)=O)F

InChI

InChI=1S/C40H44F2N7O9P/c1-23(50)48-19-18-28-13-16-33(38(54)45-30(15-17-34(43)51)36(52)47-35(24-8-4-2-5-9-24)25-10-6-3-7-11-25)49(28)39(55)32(22-48)46-37(53)31-21-26-20-27(12-14-29(26)44-31)40(41,42)59(56,57)58/h2-12,14,20-21,28,30,32-33,35,44H,13,15-19,22H2,1H3,(H2,43,51)(H,45,54)(H,46,53)(H,47,52)(H2,56,57,58)/t28-,30+,32+,33+/m1/s1

InChIKey

HBICZHLVBCLHSV-VUCLUUCHSA-N

LogP

2.761200000000005

Topological Polar Surface Area

244.32999999999996 Å²

Hydrogen Bond Donor/Acceptor

8 / 16

Complexity

1610

Synonyms & References

English

SI-109
BDBM50514297
Chembl4575382

MDL Number

MFCD32263415

Related Compounds

2-Methyl-2-propanyl [1-(4-chlorophenyl)cyclobutyl]carbamate structure

2-Methyl-2-propanyl [1-(4-chlorophenyl)cyclobutyl]carbamate

CAS Number: 1032349-96-4

Molecular Formula: C15H20ClNO2

4-Hydrazino-5-phenylthieno[2,3-d]pyrimidine structure

4-Hydrazino-5-phenylthieno[2,3-d]pyrimidine

CAS Number: 113246-86-9

Molecular Formula: C12H10N4S

5-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-2-fluorobenzaldehyde structure

5-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-2-fluorobenzaldehyde

CAS Number: 113984-67-1

Molecular Formula: C13H19FO2Si

1-Propionyl-4-piperidinecarboxylic acid structure

1-Propionyl-4-piperidinecarboxylic acid

CAS Number: 117705-17-6

Molecular Formula: C9H15NO3

Ditelluroxoniobium structure

Ditelluroxoniobium

CAS Number: 12034-83-2

Molecular Formula: NbTe2

N-(4-Piperidinylmethyl)-2-propanamine structure

N-(4-Piperidinylmethyl)-2-propanamine

CAS Number: 1225475-79-5

Molecular Formula: C9H20N2

Ethyl 1H-pyrazolo[3,4-B]pyridine-5-carboxylate structure

Ethyl 1H-pyrazolo[3,4-B]pyridine-5-carboxylate

CAS Number: 1256824-48-2

Molecular Formula: C9H9N3O2

3-Aminoisoquinoline-5-carboxylic acid structure

3-Aminoisoquinoline-5-carboxylic acid

CAS Number: 1337880-90-6

Molecular Formula: C10H8N2O2

3-(4-Bromo-1H-pyrazol-1-yl)benzaldehyde structure

3-(4-Bromo-1H-pyrazol-1-yl)benzaldehyde

CAS Number: 1341697-43-5

Molecular Formula: C10H7BrN2O

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Supplier Information

SiChuanWeiKeJi Biotechnology Co Ltd

CAS Number: 2429877-30-3

Shanghai Hansi Chemical Co., Ltd.

CAS Number: 2429877-30-3

ShangHaiMaiKeLinShengHuaKeJi Inc

CAS Number: 2429877-30-3

MedChemExpress LLC

CAS Number: 2429877-30-3

Shanghai Mofu Medicine Technology Co., Ltd.

CAS Number: 2429877-30-3

Synthonix, Inc.

CAS Number: 2429877-30-3