98495-16-0 Purity
99.5%+
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Specification
The molecular formula of Pyr-asp-pro-phe-leu-arg-phe-nh2 is C44H61N11O10.
The molecular weight of Pyr-asp-pro-phe-leu-arg-phe-nh2 is 904.0 g/mol.
The IUPAC name of Pyr-asp-pro-phe-leu-arg-phe-nh2 is '(3S)-4-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxo-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoic acid'.
The Canonical SMILES of Pyr-asp-pro-phe-leu-arg-phe-nh2 is 'CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CCCN3C(=O)C(CC(=O)O)NC(=O)C4CCC(=O)N4'.
The InChIKey of Pyr-asp-pro-phe-leu-arg-phe-nh2 is 'CLWGEQPXAKIVMA-NXBWRCJVSA-N'.
The Hydrogen Bond Donor Count of Pyr-asp-pro-phe-leu-arg-phe-nh2 is 10.
The Hydrogen Bond Acceptor Count of Pyr-asp-pro-phe-leu-arg-phe-nh2 is 11.
The Rotatable Bond Count of Pyr-asp-pro-phe-leu-arg-phe-nh2 is 24.
The exact mass of Pyr-asp-pro-phe-leu-arg-phe-nh2 is 903.46028719 g/mol.
The topological polar surface area of Pyr-asp-pro-phe-leu-arg-phe-nh2 is 340 Å2.