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Keywords
Reyataz (TN) Zrivada Atazanavir sulfate [USAN
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- Application:Molecular Structure of Atazanavir sulfate (CAS NO.229975-97-7): IUPAC Name: methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4
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- Transportation:Molecular Structure of Atazanavir sulfate (CAS NO.229975-97-7): IUPAC Name: methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4
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Molecular Structure of Atazanavir sulfate (CAS NO.229975-97-7):
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IUPAC Name: methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate; sulfuric acid
Empirical Formula: C38H54N6O11S
Molecular Weight: 802.934
H bond acceptors: 13
H bond donors: 5
Freely Rotating Bonds: 19
Polar Surface Area: 125.06 Å2
Flash Point: 555.8 °C
Enthalpy of Vaporization: 152.1 kJ/mol
Boiling Point: 995.5 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Product Categories: Antiviral Agents; Atazanavir
InChI
InChI=1/C38H52N6O7.H2O4S/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28;1-5(2,3)4/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47);(H2,1,2,3,4)/t29-,30-,31+,32+;/m0./s1
Smiles
OS(O)(=O)=O.C([C@@H](NC(=O)OC)C(C)(C)C)(N[N@@](
Details:
Molecular Structure of Atazanavir sulfate (CAS NO.229975-97-7):
IUPAC Name: methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate; sulfuric acid
Empirical Formula: C38H54N6O11S
Molecular Weight: 802.934
H bond acceptors: 13
H bond donors: 5
Freely Rotating Bonds: 19
Polar Surface Area: 125.06 Å2
Flash Point: 555.8 °C
Enthalpy of Vaporization: 152.1 kJ/mol
Boiling Point: 995.5 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Product Categories: Antiviral Agents; Atazanavir
InChI
InChI=1/C38H52N6O7.H2O4S/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28;1-5(2,3)4/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47);(H2,1,2,3,4)/t29-,30-,31+,32+;/m0./s1
Smiles
OS(O)(=O)=O.C([C@@H](NC(=O)OC)C(C)(C)C)(N[N@@](
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