methyl (2S,3S)-2-[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-amino-4-oxo-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoate

Base Information

Chemical Name:methyl (2S,3S)-2-[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-amino-4-oxo-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoate
CAS No.:127231-45-2
Molecular Formula:C₃₇H₅₉N₇O₁₀
Molecular Weight:761.916
Hs Code.:
ChEMBL ID:CHEMBL115376
DSSTox Substance ID:DTXSID00925825

methyl (2S,3S)-2-[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-amino-4-oxo-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoate

Synonyms:CHEMBL115376;127231-45-2;DTXSID00925825;BDBM50010498;methyl (2S,3S)-2-[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-amino-4-oxo-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoate;[N-(AcSerLeuAsn)-4-phenyl-3(S)-amino-2(RS)-hydroxybutyl]Pro-Isoleucine methyl ester;2-{[2-({1,3-Dihydroxy-2-[(1-hydroxyethylidene)amino]propylidene}amino)-1-hydroxy-4-methylpentylidene]amino}-N~1~-[3-hydroxy-4-(2-{hydroxy[(1-methoxy-3-methyl-1-oxopentan-2-yl)imino]methyl}pyrrolidin-1-yl)-1-phenylbutan-2-yl]butanediimidic acid;methyl 2-[1-(3-{2-carbamoyl-1-[1-(2-hydroxy-1-methylcarboxamidoethylcarboxamido)-3-methylbutylcarboxamido]ethylcarboxamido}-2-hydroxy-4-phenylbutyl)tetrahydro-1H-2-pyrrolylcarboxamido]-3-methylpentanoate

Suppliers and Price of methyl (2S,3S)-2-[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-amino-4-oxo-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoate

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of methyl (2S,3S)-2-[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-amino-4-oxo-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoate

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:1135.5°Cat760mmHg
Flash Point:640.5°C
Density:1.221g/cm³
XLogP3:0.5
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:23
Exact Mass:761.43234110
Heavy Atom Count:54
Complexity:1280

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCC(C)C(C(=O)OC)NC(=O)C1CCCN1CC(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C)O
Isomeric SMILES:CC[C@H](C)[C@@H](C(=O)OC)NC(=O)[C@@H]1CCCN1CC([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)C)O

Technology Process of methyl (2S,3S)-2-[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-amino-4-oxo-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoate

There total 11 articles about methyl (2S,3S)-2-[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-amino-4-oxo-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoate 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:

: (2S,3S)-2-{[(S)-1-((S)-3-{(S)-2-[(S)-2-((S)-2-Acetylamino-3-benzyloxy-propionylamino)-4-methyl-pentanoylamino]-3-carbamoyl-propionylamino}-2-hydroxy-4-phenyl-butyl)-pyrrolidine-2-carbonyl]-amino}-3-methyl-pentanoic acid methyl ester

: 127231-45-2,127306-16-5,139403-36-4
Ac-Ser-Leu-Asn--Ile-OMe

Guidance literature:: With hydrogen; palladium dihydroxide; In acetic acid;
DOI:10.1021/jm00167a003

Reference yield:

: 13139-15-6,53296-34-7
N-tert-butoxycarbonyl-L-leucine

: 127231-45-2,127306-16-5,139403-36-4
Ac-Ser-Leu-Asn--Ile-OMe

Guidance literature:: Multi-step reaction with 8 steps

1: 1.) N-methylmorpholine, 2.) EDCl, HOBt

2: 4 N HCl / dioxane

3: 1.) N-methylmorpholine, 2.) EDCl, HOBt

4: 4 N HCl / dioxane

5: N-methylmorpholine

6: NaI, NaHCO₃ / dimethylformamide

7: NaBH₄ / methanol

8: H₂ / Pd(OH)2/C / acetic acid

With 4-methyl-morpholine; hydrogenchloride; sodium tetrahydroborate; hydrogen; sodium hydrogencarbonate; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; sodium iodide; palladium dihydroxide; In 1,4-dioxane; methanol; acetic acid; N,N-dimethyl-formamide;
DOI:10.1021/jm00167a003

Reference yield:

: (S)-2-Amino-N¹-((S)-1-benzyl-3-chloro-2-oxo-propyl)-succinamide

: 127231-45-2,127306-16-5,139403-36-4
Ac-Ser-Leu-Asn--Ile-OMe

Guidance literature:: Multi-step reaction with 8 steps

1: 1.) N-methylmorpholine, 2.) EDCl, HOBt

2: 4 N HCl / dioxane

3: 1.) N-methylmorpholine, 2.) EDCl, HOBt

4: 4 N HCl / dioxane

5: N-methylmorpholine

6: NaI, NaHCO₃ / dimethylformamide

7: NaBH₄ / methanol

8: H₂ / Pd(OH)2/C / acetic acid

With 4-methyl-morpholine; hydrogenchloride; sodium tetrahydroborate; hydrogen; sodium hydrogencarbonate; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; sodium iodide; palladium dihydroxide; In 1,4-dioxane; methanol; acetic acid; N,N-dimethyl-formamide;
DOI:10.1021/jm00167a003