Benzyl [(1s,4s,7s,8r,9r,10s,13s,16s)-7,10-Dibenzyl-8,9-Dihydroxy-1,16-Dimethyl-4,13-Bis(1-Methylethyl)-2,5,12,15,18-Pentaoxo-20-Phenyl-19-Oxa-3,6,11,14,17-Pentaazaicos-1-Yl]carbamate

Base Information

• Chemical Name: Benzyl [(1s,4s,7s,8r,9r,10s,13s,16s)-7,10-Dibenzyl-8,9-Dihydroxy-1,16-Dimethyl-4,13-Bis(1-Methylethyl)-2,5,12,15,18-Pentaoxo-20-Phenyl-19-Oxa-3,6,11,14,17-Pentaazaicos-1-Yl]carbamate
• CAS No.: 204907-85-7
• Molecular Formula: C50H64N6O10
• Molecular Weight: 909.092
• DSSTox Substance ID: DTXSID10174468
• Nikkaji Number: J925.925B
• ChEMBL ID: CHEMBL449611

Synonyms:204907-85-7;CHEMBL449611;(2S)-N-(4-((2S)-2-((2S)-2-((phenylmethoxy)carbonylamino)propanoylamino)-3-methylbutanoylamino)(1S,4S,2R,3R)-2,3-dihydroxy-5-phenyl-1-benzylpentyl)-2-((2S)-2-((phenylmethoxy)carbonylamino)propanoylamino)-3-methylbutanamide;Benzyl [(1s,4s,7s,8r,9r,10s,13s,16s)-7,10-Dibenzyl-8,9-Dihydroxy-1,16-Dimethyl-4,13-Bis(1-Methylethyl)-2,5,12,15,18-Pentaoxo-20-Phenyl-19-Oxa-3,6,11,14,17-Pentaazaicos-1-Yl]carbamate;(2S)-N-[4-((2S)-2-{(2S)-2-[(phenylmethoxy)carbonylamino]propanoylamino}-3-methylbutanoylamino)(1S,4S,2R,3R)-2,3-dihydroxy-5-phenyl-1-benzylpentyl]-2-{(2S)-2-[(phenylmethoxy)carbonylamino]propanoylamino}-3-methylbutanamide;TL3;3slz;2p3a;2p3b;2p3c;2p3d;DTXSID10174468;BDBM50488871;Q27454129;benzyl [(1s,4s,7s,8r,9r,10s,13s,16s)-7,10-dibenzyl-8,9-dihydroxy-1,16-di-methyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate;benzyl N-[(1S)-2-[[(1S)-1-[[(1S,2R,3R,4S)-1-benzyl-4-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-2,3-dihydroxy-5-phenyl-pentyl]carbamoyl]-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]carbamate

Chemical Property of Benzyl [(1s,4s,7s,8r,9r,10s,13s,16s)-7,10-Dibenzyl-8,9-Dihydroxy-1,16-Dimethyl-4,13-Bis(1-Methylethyl)-2,5,12,15,18-Pentaoxo-20-Phenyl-19-Oxa-3,6,11,14,17-Pentaazaicos-1-Yl]carbamate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1164.6°Cat760mmHg
• Flash Point: 658.1°C
• Density: 1.215g/cm³
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 25
• Exact Mass: 908.46839226
• Heavy Atom Count: 66
• Complexity: 1400

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(C(C(CC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)OCC3=CC=CC=C3)O)O)NC(=O)C(C)NC(=O)OCC4=CC=CC=C4
• Isomeric SMILES: C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCC3=CC=CC=C3)O)O)NC(=O)OCC4=CC=CC=C4

Technology Process of Benzyl [(1s,4s,7s,8r,9r,10s,13s,16s)-7,10-Dibenzyl-8,9-Dihydroxy-1,16-Dimethyl-4,13-Bis(1-Methylethyl)-2,5,12,15,18-Pentaoxo-20-Phenyl-19-Oxa-3,6,11,14,17-Pentaazaicos-1-Yl]carbamate

There total 2 articles about Benzyl [(1s,4s,7s,8r,9r,10s,13s,16s)-7,10-Dibenzyl-8,9-Dihydroxy-1,16-Dimethyl-4,13-Bis(1-Methylethyl)-2,5,12,15,18-Pentaoxo-20-Phenyl-19-Oxa-3,6,11,14,17-Pentaazaicos-1-Yl]carbamate 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: 35.0%

C25H31N3O5 (917237-75-3) → phenylmethyl-N-[(2S)-1-[[(2S)-1-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]-1,6-di(phenyl)hexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate (204907-85-7)

Guidance literature:

C₂₅H₃₁N₃O₅; With water; zinc; titanium tetrachloride; In tetrahydrofuran; at 20 ℃; for 12h;

With hydrogenchloride; In tetrahydrofuran; dichloromethane; water; for 0.333333h;

Reference yield:

→ phenylmethyl-N-[(2S)-1-[[(2S)-1-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]-1,6-di(phenyl)hexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate (204907-85-7)

Guidance literature:

Reference yield: 63.0%

phenylmethyl-N-[(2S)-1-[[(2S)-1-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]-1,6-di(phenyl)hexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate (204907-85-7) → [(S)-1-((S)-1-{(1S,2R,4S)-1-Benzyl-4-[(S)-2-((S)-2-benzyloxycarbonylamino-propionylamino)-3-methyl-butyrylamino]-2-hydroxy-3-oxo-5-phenyl-pentylcarbamoyl}-2-methyl-propylcarbamoyl)-ethyl]-carbamic acid benzyl ester

Guidance literature:

With 3,3-dimethyldioxirane; In chloroform-d1; acetone; at 25 ℃;

DOI:10.1021/ja982893p

upstream raw materials:

C₂₅H₃₁N₃O₅

Downstream raw materials:

((S)-1-{(S)-1-[(S)-1-((4R,5R)-5-{(S)-1-[(S)-2-((S)-2-Benzyloxycarbonylamino-propionylamino)-3-methyl-butyrylamino]-2-phenyl-ethyl}-2,2-dimethyl-[1,3]dioxolan-4-yl)-2-phenyl-ethylcarbamoyl]-2-methyl-propylcarbamoyl}-ethyl)-carbamic acid benzyl ester

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