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Predicted properties of the compound entered.

ID AAXZAWDGRCHTJQ-TUFLPTIASA-N
Formula C26H40N6O8
IUPAC Name (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-hydroxy-N-methylpropanamido]-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]pentanediamide
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Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C26H40N6O8/c1-14(2)11-21(32(4)26(40)20(13-33)29-15(3)34)25(39)31-19(12-16-5-7-17(35)8-6-16)24(38)30-18(23(28)37)9-10-22(27)36/h5-8,14,18-21,33,35H,9-13H2,1-4H3,(H2,27,36)(H2,28,37)(H,29,34)(H,30,38)(H,31,39)/t18-,19-,20-,21-/m0/s1
Standard InChIKey (User Input) InChIKey=AAXZAWDGRCHTJQ-TUFLPTIASA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanediamide | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-propanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanediamide | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-1-oxopropyl]-methylamino]-4-methyl-1-oxopentyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]pentanediamide | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-propanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]glutaramide
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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HSQC/HMBC prediction -
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