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L-756423 sulfate

CAT: 0931-T202391-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T202391-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
216863-67-1
Bioactivity
L-756423 is an HIV protease inhibitor.
Smiles
S(=O)(=O)(O)O.N(C([C@H](CC1=CC=CC=C1)C[C@@H](CN2[C@H](C(NC(C)(C)C)=O)CN(CC3=CC=4C(O3)=CC=CC4)CC2)O)=O)[C@H]5C=6C(C[C@H]5O)=CC=CC6
Molecular Formula
C39H50N4O9S
Molecular Weight
750.9
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(2(R)-Hydroxy-1(S)-indanyl)-2(R)-phenylmethyl-4(S)-hydroxy-5-(1-(4-(2-benzo(b)furanylmethyl)-2(S)-N'-(t-butyl-carboxamido)-piperazinyl))-pentaneamide sulfate
CAS Number216863-67-1
PubChem CID9831957
IUPAC Name(2S)-4-(1-benzofuran-2-ylmethyl)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butylpiperazine-2-carboxamide;sulfuric acid
Molecular FormulaC39H50N4O9S
Molecular Weight750.9
Topological Polar Surface Area201
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Heavy Atom Count53
Formal Charge0
Complexity1140
SMILES
CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CC6=CC=CC=C6O5.OS(=O)(=O)O
InChI
InChI=1S/C39H48N4O5.H2O4S/c1-39(2,3)41-38(47)33-25-42(24-31-21-28-14-8-10-16-35(28)48-31)17-18-43(33)23-30(44)20-29(19-26-11-5-4-6-12-26)37(46)40-36-32-15-9-7-13-27(32)22-34(36)45;1-5(2,3)4/h4-16,21,29-30,33-34,36,44-45H,17-20,22-25H2,1-3H3,(H,40,46)(H,41,47);(H2,1,2,3,4)/t29-,30+,33+,34-,36+;/m1./s1
InChIKey
UWYBCVUVANCOEX-DOKCPVFOSA-N
Chemical Structure
2D Structure
2D structure of N-(2(R)-Hydroxy-1(S)-indanyl)-2(R)-phenylmethyl-4(S)-hydroxy-5-(1-(4-(2-benzo(b)furanylmethyl)-2(S)-N'-(t-butyl-carboxamido)-piperazinyl))-pentaneamide sulfate
CAS: 216863-67-1
CID: 9831957
Formula: C39H50N4O9S
MW: 750.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight750.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Exact Mass750.32985036
Monoisotopic Mass750.32985036
Topological Polar Surface Area201 Ų
Heavy Atom Count53
Formal Charge0
Complexity1140
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes