(alphaS,gammaS,deltaS)-gamma-Hydroxy-delta-[[(S)-2-[[(S)-2-[4-(methoxymethoxy)piperidino]-2-oxo-1-benzylethyl]amino]-1-oxohexyl]amino]-alpha-isopropyl-N-(3-morpholinopropyl)cyclohexanehexanamide

Base Information

Chemical Name:(alphaS,gammaS,deltaS)-gamma-Hydroxy-delta-[[(S)-2-[[(S)-2-[4-(methoxymethoxy)piperidino]-2-oxo-1-benzylethyl]amino]-1-oxohexyl]amino]-alpha-isopropyl-N-(3-morpholinopropyl)cyclohexanehexanamide
CAS No.:130336-12-8
Molecular Formula:C₄₄H₇₅N₅O₇
Molecular Weight:786.109
Hs Code.:
DSSTox Substance ID:DTXSID701025331
Nikkaji Number:J608.674H
Pharos Ligand ID:H843ZKWMRKJD
ChEMBL ID:CHEMBL52060

(alphaS,gammaS,deltaS)-gamma-Hydroxy-delta-[[(S)-2-[[(S)-2-[4-(methoxymethoxy)piperidino]-2-oxo-1-benzylethyl]amino]-1-oxohexyl]amino]-alpha-isopropyl-N-(3-morpholinopropyl)cyclohexanehexanamide

Synonyms:CHEMBL52060;130336-12-8;DTXSID701025331;BDBM50006198;(2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-oxo-ethylamino]-hexanoylamino}-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid (3-morpholin-4-yl-propyl)-amide;(2S,4S,5S)-6-Cyclohexyl-4-hydroxy-5-[[(2S)-2-[[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]hexanoyl]amino]-N-(3-morpholin-4-ylpropyl)-2-propan-2-ylhexanamide;(alphaS,gammaS,deltaS)-gamma-Hydroxy-delta-[[(S)-2-[[(S)-2-[4-(methoxymethoxy)piperidino]-2-oxo-1-benzylethyl]amino]-1-oxohexyl]amino]-alpha-isopropyl-N-(3-morpholinopropyl)cyclohexanehexanamide;5-{2-[1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-oxo-ethylamino]-hexanoylamino}-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid (3-morpholin-4-yl-propyl)-amide

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Chemical Property of (alphaS,gammaS,deltaS)-gamma-Hydroxy-delta-[[(S)-2-[[(S)-2-[4-(methoxymethoxy)piperidino]-2-oxo-1-benzylethyl]amino]-1-oxohexyl]amino]-alpha-isopropyl-N-(3-morpholinopropyl)cyclohexanehexanamide

Chemical Property:

XLogP3:6.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:24
Exact Mass:785.56664975
Heavy Atom Count:56
Complexity:1100

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCC(C(=O)NC(CC1CCCCC1)C(CC(C(C)C)C(=O)NCCCN2CCOCC2)O)NC(CC3=CC=CC=C3)C(=O)N4CCC(CC4)OCOC
Isomeric SMILES:CCCC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](C[C@@H](C(C)C)C(=O)NCCCN2CCOCC2)O)N[C@@H](CC3=CC=CC=C3)C(=O)N4CCC(CC4)OCOC

Technology Process of (alphaS,gammaS,deltaS)-gamma-Hydroxy-delta-[[(S)-2-[[(S)-2-[4-(methoxymethoxy)piperidino]-2-oxo-1-benzylethyl]amino]-1-oxohexyl]amino]-alpha-isopropyl-N-(3-morpholinopropyl)cyclohexanehexanamide

There total 5 articles about (alphaS,gammaS,deltaS)-gamma-Hydroxy-delta-[[(S)-2-[[(S)-2-[4-(methoxymethoxy)piperidino]-2-oxo-1-benzylethyl]amino]-1-oxohexyl]amino]-alpha-isopropyl-N-(3-morpholinopropyl)cyclohexanehexanamide 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:

: 123-00-2
4-(3-Aminopropyl)morpholine

: 130336-12-8
(2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-oxo-ethylamino]-hexanoylamino}-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid (3-morpholin-4-yl-propyl)-amide

Guidance literature:: Multi-step reaction with 3 steps

1: 84 percent / 96 h / 60 °C

2: trifluoroacetic acid / CH₂Cl₂ / 0 °C

3: HOBt hydrate, 4-methylmorpholine, EDC / dimethylformamide / 1.) -23 deg C, 4 h, 2.) RT, 18 h

With 4-methyl-morpholine; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; trifluoroacetic acid; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm00045a003

Reference yield:

: 138679-12-6
(2S,4S,5S)-5-Amino-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid (3-morpholin-4-yl-propyl)-amide

: 140660-69-1
(2S,4S)-3-aza-2-butyl-4-<<4-(1,3-dioxabutyl)piperidin-1-yl>carbonyl>-5-phenylpentanoic acid

: 130336-12-8
(2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-oxo-ethylamino]-hexanoylamino}-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid (3-morpholin-4-yl-propyl)-amide

Guidance literature:: With 4-methyl-morpholine; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In N,N-dimethyl-formamide; for 24h; Ambient temperature;
DOI:10.1021/jm00088a007

Reference yield:

: 124032-36-6
(3S,5S)-5-[(1S)-1-(t-butoxycarbonyl)amino-2-cyclohexylethyl]-3-isopropyldihydrofuran-2(3H)-one

: 130336-12-8
(2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-oxo-ethylamino]-hexanoylamino}-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid (3-morpholin-4-yl-propyl)-amide

Guidance literature:: Multi-step reaction with 3 steps

1: 84 percent / 96 h / 60 °C

2: trifluoroacetic acid / CH₂Cl₂ / 0 °C

3: HOBt hydrate, 4-methylmorpholine, EDC / dimethylformamide / 1.) -23 deg C, 4 h, 2.) RT, 18 h

With 4-methyl-morpholine; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; trifluoroacetic acid; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm00045a003