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Technology Process of (4R)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[(2S,4R)-2-[[benzylcarbamothioyl(propyl)amino]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

(4R)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[(2S,4R)-2-[[benzylcarbamothioyl(propyl)amino]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Base Information
  • Chemical Name:(4R)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[(2S,4R)-2-[[benzylcarbamothioyl(propyl)amino]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
  • CAS No.:220440-79-9
  • Molecular Formula:C45H64N8O11S
  • Molecular Weight:925.1017
  • Hs Code.:
  • DSSTox Substance ID:DTXSID20416164
  • ChEMBL ID:CHEMBL3301636
(4R)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[(2S,4R)-2-[[benzylcarbamothioyl(propyl)amino]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Synonyms:Azapeptide-based compound 30;220440-79-9;BDBM3889;CHEMBL3301636;DTXSID20416164;(4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-2-{[(benzylcarbamothioyl)(propyl)amino]carbamoyl}-4-(benzyloxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-4-[(3S)-3-acetamido-3-formamidopropanoic acid]butanoic acid;L-Proline, N-acetyl-L-alpha-aspartyl-D-alpha-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-, 5-[2-[[(phenylmethyl)amino]thioxomethyl]-2-propylhydrazide], (4R)- (9CI)

Suppliers and Price of (4R)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[(2S,4R)-2-[[benzylcarbamothioyl(propyl)amino]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
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Chemical Property of (4R)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[(2S,4R)-2-[[benzylcarbamothioyl(propyl)amino]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Chemical Property:
  • Density:1.31g/cm3 
  • XLogP3:3
  • Hydrogen Bond Donor Count:8
  • Hydrogen Bond Acceptor Count:12
  • Rotatable Bond Count:24
  • Exact Mass:924.44152606
  • Heavy Atom Count:65
  • Complexity:1640
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CCCN(C(=S)NCC1=CC=CC=C1)NC(=O)C2CC(CN2C(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C)OCC3=CC=CC=C3
  • Isomeric SMILES:CCCN(C(=S)NCC1=CC=CC=C1)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C)OCC3=CC=CC=C3
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