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Tris(2-methyl-2-propanyl) (3S,10S,14S)-1-[trans-4-(aminomethyl)cyclohexyl]-3-(2-naphthylmethyl)-1,4,12-trioxo-2,5,11,13-tetraazahexadecane-10,14,16-tricarboxylate (non-preferred name) | CAS No. 2230662-95-8

Tris(2-methyl-2-propanyl) (3S,10S,14S)-1-[trans-4-(aminomethyl)cyclohexyl]-3-(2-naphthylmethyl)-1,4,12-trioxo-2,5,11,13-tetraazahexadecane-10,14,16-tricarboxylate (non-preferred name)

Basic Information

Chemical_Structure_Of

CAS Number

2230662-95-8

Molecular Formula

C45H69N5O9

Molecular Weight

824.06 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 Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

CC(C)(C)OC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)N[C@@H](CCCCNC(=O)[C@H](CC1C=C2C=CC=CC2=CC=1)NC(=O)[C@@H]1CC[C@@H](CN)CC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C45H69N5O9/c1-43(2,3)57-37(51)24-23-35(41(55)59-45(7,8)9)50-42(56)49-34(40(54)58-44(4,5)6)16-12-13-25-47-39(53)36(48-38(52)32-21-17-29(28-46)18-22-32)27-30-19-20-31-14-10-11-15-33(31)26-30/h10-11,14-15,19-20,26,29,32,34-36H,12-13,16-18,21-25,27-28,46H2,1-9H3,(H,47,53)(H,48,52)(H2,49,50,56)/t29-,32-,34-,35-,36-/m0/s1

InChIKey

PVSDVTHLYNQDRD-FUFSVGPLSA-N

LogP

5.760400000000008

Topological Polar Surface Area

204.25 Å²

Hydrogen Bond Donor/Acceptor

6 / 14

Complexity

1390

Synonyms & References

English

PFN62958
di-tert-butyl (((S)-6-((S)-2-((1r,4S)-4-(aminomethyl)cyclohexane-1-carboxamido)-3-(naphthalen-2-yl)propanamido)-1-(tert-butoxy)-1-oxohexan-2-yl)carbamoyl)-L-glutamate
Ditert-butyl (2S)-2-[[(2S)-6-[[(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-naphthalen-2-ylp

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

1,3-Dibromo-2,4-dichloro-5-fluorobenzene

CAS Number: 1000573-45-4

Molecular Formula: C6HFCl2Br2

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine

CAS Number: 103687-96-3

Molecular Formula: C17H19NO5S

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine

CAS Number: 112897-99-1

Molecular Formula: C30H31N3O7

Darunavir-d9 structure

Darunavir-d9

CAS Number: 1133378-37-6

Molecular Formula: C27H28D9N3O7S

2-Bromo-3-isopropoxypyridine structure

2-Bromo-3-isopropoxypyridine

CAS Number: 113503-65-4

Molecular Formula: C8H10BrNO

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate structure

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate

CAS Number: 116543-91-0

Molecular Formula: C11H7FO4

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile

CAS Number: 121055-10-5

Molecular Formula: C17H17NO4

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate

CAS Number: 1263059-26-2

Molecular Formula: C8H6ClN3O2

8-Bromoisoquinolin-1-amine structure

8-Bromoisoquinolin-1-amine

CAS Number: 1337879-85-2

Molecular Formula: C9H7BrN2

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Supplier Information

Beijing Bioinnovation Technology Co., Ltd.

CAS Number: 2230662-95-8

Jixi Tanzhen Biological Technology Co., Ltd.

CAS Number: 2230662-95-8

Hangzhou Tijk Biotechnology Co., Ltd.

CAS Number: 2230662-95-8

Shanghai Yuansi Biotechnology Co., Ltd.

CAS Number: 2230662-95-8