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Technology Process of (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[3-(4-sulfooxyphenyl)propanoylamino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]-methylamino]-4-oxobutanoic acid

(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[3-(4-sulfooxyphenyl)propanoylamino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]-methylamino]-4-oxobutanoic acid

Base Information
  • Chemical Name:(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[3-(4-sulfooxyphenyl)propanoylamino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]-methylamino]-4-oxobutanoic acid
  • CAS No.:127902-33-4
  • Molecular Formula:C48H62 N8 O13 S
  • Molecular Weight:991.1167
  • Hs Code.:
  • Wikidata:Q27074077
  • Mol file:127902-33-4.mol
(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[3-(4-sulfooxyphenyl)propanoylamino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]-methylamino]-4-oxobutanoic acid

Synonyms:A 71378;A71378;desamino-Tyr(SO3H)-Nle-Gly-Trp-Nle-(N-methyl)Asp-Phe-NH2

Suppliers and Price of (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[3-(4-sulfooxyphenyl)propanoylamino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]-methylamino]-4-oxobutanoic acid
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Chemical Property of (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[3-(4-sulfooxyphenyl)propanoylamino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]-methylamino]-4-oxobutanoic acid
Chemical Property:
  • Density:1.323g/cm3 
  • XLogP3:2.4
  • Hydrogen Bond Donor Count:9
  • Hydrogen Bond Acceptor Count:14
  • Rotatable Bond Count:27
  • Exact Mass:990.41570524
  • Heavy Atom Count:70
  • Complexity:1880
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MSDS Files:
Useful:
  • Canonical SMILES:CCCCC(C(=O)NCC(=O)N(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCC)C(=O)NC(=O)C3=CC=CC=C3CC(C)NC(=O)C(CC(=O)O)NC)NC(=O)CCC4=CC=C(C=C4)OS(=O)(=O)O
  • Isomeric SMILES:CCCC[C@@H](C(=O)NCC(=O)N(CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCC)C(=O)NC(=O)C3=CC=CC=C3C[C@@H](C)NC(=O)[C@H](CC(=O)O)NC)NC(=O)CCC4=CC=C(C=C4)OS(=O)(=O)O
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