methyl (2S,3S)-2-[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-2-acetamido-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-acetamido-4-methyl-pentanoyl]amino]-4-amino-4-oxo-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoate
CAS No.:127231-47-4
Molecular Formula:C₃₄H₅₄N₆O₈
Molecular Weight:674.838
Hs Code.:
DSSTox Substance ID:DTXSID60925826
Mol file:127231-47-4.mol

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

Synonyms:127231-47-4;DTXSID60925826;2-({1-Hydroxy-2-[(1-hydroxyethylidene)amino]-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;L-Isoleucine, N-[1-[3(S)-[[N2-(N-acetyl-L-leucyl)-L-asparaginyl]amino]-2(RS)-hydroxy-4-phenylbutyl]-L-prolyl]-, methyl ester;methyl (2S,3S)-2-[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-2-acetamido-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-acetamido-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:1008.4°C at 760 mmHg
Flash Point:563.6°C
Density:1.182g/cm³
XLogP3:1.8
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:20
Exact Mass:674.40031270
Heavy Atom Count:48
Complexity:1100

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)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)O

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

There total 8 articles about methyl (2S,3S)-2-[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-2-acetamido-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-Acetylamino-4-methyl-pentanoylamino)-3-carbamoyl-propionylamino]-2-oxo-4-phenyl-butyl}-pyrrolidine-2-carbonyl)-amino]-3-methyl-pentanoic acid methyl ester

: 127231-47-4,127306-18-7
Ac-Leu-Asn--Ile-OMe

Guidance literature:: With sodium tetrahydroborate; In methanol;
DOI:10.1021/jm00167a003

Reference yield:

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

: 127231-47-4,127306-18-7
Ac-Leu-Asn--Ile-OMe

Guidance literature:: Multi-step reaction with 5 steps

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

2: 4 N HCl / dioxane

3: N-methylmorpholine

4: NaI, NaHCO₃ / dimethylformamide

5: NaBH₄ / methanol

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

Reference yield:

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

: 127231-47-4,127306-18-7
Ac-Leu-Asn--Ile-OMe

Guidance literature:: Multi-step reaction with 5 steps

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

2: 4 N HCl / dioxane

3: N-methylmorpholine

4: NaI, NaHCO₃ / dimethylformamide

5: NaBH₄ / methanol

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