Cas no 82637-57-8 ((S)-2-(S)-2-((S)-1-Ethoxycarbonyl-3-phenylpropylamino)propionyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid benzylester)

(S)-2-(S)-2-((S)-1-Ethoxycarbonyl-3-phenylpropylamino)propionyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid benzylester structure
82637-57-8 structure
Product Name:(S)-2-(S)-2-((S)-1-Ethoxycarbonyl-3-phenylpropylamino)propionyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid benzylester
CAS No:82637-57-8
MF:C34H40N2O7
MW:588.690609931946
CID:60478
PubChem ID:13044267
Update Time:2025-04-18

(S)-2-(S)-2-((S)-1-Ethoxycarbonyl-3-phenylpropylamino)propionyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid benzylester Chemical and Physical Properties

Names and Identifiers

    • (S)-2-[(S)-2-((S)-1-Ethoxycarbonyl-3-phenylpropylamino)propionyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid benzyl ester
    • 2-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid phenylmethyl ester
    • (S)-2-[(S)-2-((S)-1-ETHOXYCARBONYL-3-PHENYLPROPYLAMINO)PROPIONYL]-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOX...
    • benzyl 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate
    • {3-Methoxy-4-[bis-(2-chlor-ethyl)-amino]-benzyliden}-malononitril
    • {3S-[2(R*(R*))],3R*}-2-(2-{[1-(ethoxycarbonyl)-3-phenylpropyl]amino}-1-oxopropyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,eth
    • {3S-[2(R*(R*))],3R*}-2-(2-{[1-(ethoxycarbonyl)-3-phenylpropyl]amino}-1-oxopropyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid,phenylmethyl ester
    • Propanedinitrile,2-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]methylene]
    • 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (phenylmethyl) ester
    • 82637-57-8
    • benzyl 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate
    • Benzyl 2-[N-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)alanyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
    • CHEMBL58340
    • (S,S,S) 2-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid benzyl ester
    • DTXSID80516139
    • A840400
    • BDBM50021538
    • (S)-2-(S)-2-((S)-1-Ethoxycarbonyl-3-phenylpropylamino)propionyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid benzylester
    • Inchi： 1S/C34H40N2O7/c1-5-42-33(38)28(17-16-24-12-8-6-9-13-24)35-23(2)32(37)36-21-27-20-31(41-4)30(40-3)19-26(27)18-29(36)34(39)43-22-25-14-10-7-11-15-25/h6-15,19-20,23,28-29,35H,5,16-18,21-22H2,1-4H3
    • InChI Key： JZXQEVNCLGXAGD-UHFFFAOYSA-N
    • SMILES： O(CC1C=CC=CC=1)C(C1CC2C=C(C(=CC=2CN1C(C(C)NC(C(=O)OCC)CCC1C=CC=CC=1)=O)OC)OC)=O

Computed Properties

  • Exact Mass: 588.28400
  • Monoisotopic Mass: 588.28355162g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 43
  • Rotatable Bond Count: 15
  • Complexity: 888
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 103?2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 5.3

Experimental Properties

  • Density: 1.191
  • PSA: 103.40000
  • LogP: 4.57190

(S)-2-(S)-2-((S)-1-Ethoxycarbonyl-3-phenylpropylamino)propionyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid benzylester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
S261775-50mg
(S)-2-[(S)-2-((S)-1-Ethoxycarbonyl-3-phenylpropylamino)propionyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid benzylester
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(S)-2-(S)-2-((S)-1-Ethoxycarbonyl-3-phenylpropylamino)propionyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid benzylester Related Literature

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