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Amprenavir-d4

CAT: 1596-AR-A06495-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A06495-01Size:10 Units
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CAS Number
2738376-78-6
Synonyms
(S) -tetrahydrofuran-3-yl ((2S,3R) -4- ((4-amino-N-isobutylphenyl) sulfonamido-2,3,5,6-d4) -3-hydroxy-1-phenylbutan-2-yl) carbamate
Molecular Formula
C25H31D4N3O6S
Molecular Weight
509.65
API Name
Amprenavir

Chemical Information

Amprenavir-d4-1
CAS Number2738376-78-6
PubChem CID163322442
IUPAC Name[(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-amino-2,3,5,6-tetradeuteriophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Molecular FormulaC25H35N3O6S
Molecular Weight509.7
XLogP2.9
Topological Polar Surface Area140
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count35
Formal Charge0
Complexity745
SMILES
[2H]C1=C(C(=C(C(=C1N)[2H])[2H])S(=O)(=O)N(C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)O[C@H]3CCOC3)O)CC(C)C)[2H]
InChI
InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1/i8D,9D,10D,11D
InChIKey
YMARZQAQMVYCKC-MHVPRHJPSA-N
Chemical Structure
2D Structure
2D structure of Amprenavir-d4-1
CAS: 2738376-78-6
CID: 163322442
Formula: C25H35N3O6S
MW: 509.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight509.7
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass509.24976400
Monoisotopic Mass509.24976400
Topological Polar Surface Area140 Ų
Heavy Atom Count35
Formal Charge0
Complexity745
Isotope Atom Count4
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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