2-[2-((S)-2,6-Diamino-hexanoylamino)-acetylamino]-3-phenyl-propionic acid 3-[({[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethylcarbamoyl]-methyl}-amino)-methyl]-2-mercapto-phenyl ester

Base Information

Chemical Name:2-[2-((S)-2,6-Diamino-hexanoylamino)-acetylamino]-3-phenyl-propionic acid 3-[({[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethylcarbamoyl]-methyl}-amino)-methyl]-2-mercapto-phenyl ester
CAS No.:901126-83-8
Molecular Formula:C₄₄H₅₄N₈O₇S
Molecular Weight:839.028
Hs Code.:

2-[2-((S)-2,6-Diamino-hexanoylamino)-acetylamino]-3-phenyl-propionic acid 3-[({[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethylcarbamoyl]-methyl}-amino)-methyl]-2-mercapto-phenyl ester

Synonyms:2-[2-((S)-2,6-Diamino-hexanoylamino)-acetylamino]-3-phenyl-propionic acid 3-[({[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethylcarbamoyl]-methyl}-amino)-methyl]-2-mercapto-phenyl ester

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Chemical Property of 2-[2-((S)-2,6-Diamino-hexanoylamino)-acetylamino]-3-phenyl-propionic acid 3-[({[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethylcarbamoyl]-methyl}-amino)-methyl]-2-mercapto-phenyl ester

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Technology Process of 2-[2-((S)-2,6-Diamino-hexanoylamino)-acetylamino]-3-phenyl-propionic acid 3-[({[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethylcarbamoyl]-methyl}-amino)-methyl]-2-mercapto-phenyl ester

There total 9 articles about 2-[2-((S)-2,6-Diamino-hexanoylamino)-acetylamino]-3-phenyl-propionic acid 3-[({[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethylcarbamoyl]-methyl}-amino)-methyl]-2-mercapto-phenyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 901126-81-6
2-[2-((S)-2,6-Bis-tert-butoxycarbonylamino-hexanoylamino)-acetylamino]-3-phenyl-propionic acid 3-[({[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethylcarbamoyl]-methyl}-amino)-methyl]-2-(2,4,6-trimethoxy-benzylsulfanyl)-phenyl ester

: 901126-83-8
2-[2-((S)-2,6-Diamino-hexanoylamino)-acetylamino]-3-phenyl-propionic acid 3-[({[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethylcarbamoyl]-methyl}-amino)-methyl]-2-mercapto-phenyl ester

Guidance literature:: With chlorotriisopropylsilane; trifluoroacetic acid; In dichloromethane; at 20 ℃; for 0.5h;
DOI:10.1021/ja061588y

Reference yield:

: 901126-73-6
3-hydroxy-2-mercaptobenzaldehyde

: 901126-83-8
2-[2-((S)-2,6-Diamino-hexanoylamino)-acetylamino]-3-phenyl-propionic acid 3-[({[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethylcarbamoyl]-methyl}-amino)-methyl]-2-mercapto-phenyl ester

Guidance literature:: Multi-step reaction with 4 steps

1.1: PPh₃; NCS / CH₂Cl₂ / 0.5 h / 0 °C

1.2: 58 percent / K₂CO₃ / CH₂Cl₂; dimethylformamide / 1 h / 0 °C

2.1: 83 percent / EDC; HOBt; DIEA / dimethylformamide / 12 h / 20 °C

3.1: 77 percent / AcOH; NaBH₃CN / methanol / 10 h / 20 °C

4.1: TFA; TIPS / CH₂Cl₂ / 0.5 h / 20 °C

With N-chloro-succinimide; chlorotriisopropylsilane; sodium cyanoborohydride; benzotriazol-1-ol; acetic acid; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine; triphenylphosphine; trifluoroacetic acid; In methanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/ja061588y

Reference yield:

: 901126-77-0
2-oxobenzo[d][1,3]oxathiole-4-carbaldehyde

: 901126-83-8
2-[2-((S)-2,6-Diamino-hexanoylamino)-acetylamino]-3-phenyl-propionic acid 3-[({[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethylcarbamoyl]-methyl}-amino)-methyl]-2-mercapto-phenyl ester

Guidance literature:: Multi-step reaction with 5 steps

1.1: aq. NaOH / methanol / 0.5 h / 20 °C

2.1: PPh₃; NCS / CH₂Cl₂ / 0.5 h / 0 °C

2.2: 58 percent / K₂CO₃ / CH₂Cl₂; dimethylformamide / 1 h / 0 °C

3.1: 83 percent / EDC; HOBt; DIEA / dimethylformamide / 12 h / 20 °C

4.1: 77 percent / AcOH; NaBH₃CN / methanol / 10 h / 20 °C

5.1: TFA; TIPS / CH₂Cl₂ / 0.5 h / 20 °C

With sodium hydroxide; N-chloro-succinimide; chlorotriisopropylsilane; sodium cyanoborohydride; benzotriazol-1-ol; acetic acid; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine; triphenylphosphine; trifluoroacetic acid; In methanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/ja061588y