Products for Research Use Only
RegisterLogin

VIRIP

CAT: 0931-TP2702-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TP2702-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
339332-64-8
Target
HIV Protease
Related Pathways
Microbiology/Virology, Proteases/Proteasome
Bioactivity
VIRIP (human α1-AT (353-372) ) serves as an inhibitor of HIV-1. It impedes HIV-1 entry by binding to the gp41 fusion peptide, making it useful in virus research.
Smiles
C(=O)([C@H]1N(C([C@@H](NC([C@@H](NC([C@@H](NC(=O)[C@H]2N(C([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC(C)C)N)=O)CCC(O)=O)=O)C)=O)[C@H](CC)C)=O)CCC2)CCSC)=O)CO)=O)[C@H](CC)C)=O)CCC1)N3[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC4=CC=CC=C4)C(N[C@H](C(N[C@H](C(=O)N5[C@H](C(N[C@@H](CC6=CC=CC=C6)C(N[C@H](C(N[C@@H](CC7=CC=CC=C7)C(O)=O)=O)[C@H](C)C)=O)=O)CCC5)CCCCN)=O)CC(N)=O)=O)=O)CCCCN)=O)[C@H](C)C)=O)CCC(O)=O)=O)CCC3
Molecular Formula
C112H171N23O27S
Molecular Weight
2303.76
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Virip
CAS Number339332-64-8
PubChem CID16729382
IUPAC Name(4S)-5-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-[[(2S)-1-[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
Molecular FormulaC112H171N23O27S
Molecular Weight2303.8
XLogP-3.9
Topological Polar Surface Area796
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count31
Rotatable Bond Count69
Heavy Atom Count163
Formal Charge0
Complexity5000
SMILES
CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)N
InChI
InChI=1S/C112H171N23O27S/c1-13-65(9)91(130-93(142)67(11)117-95(144)73(44-46-87(138)139)118-94(143)71(115)56-62(3)4)110(159)134-53-30-42-84(134)104(153)120-75(48-55-163-12)97(146)127-81(61-136)102(151)131-92(66(10)14-2)111(160)135-54-31-43-85(135)109(158)133-52-29-41-83(133)103(152)119-74(45-47-88(140)141)98(147)128-89(63(5)6)106(155)121-72(38-24-26-49-113)96(145)123-77(57-68-32-18-15-19-33-68)99(148)124-79(60-86(116)137)100(149)122-76(39-25-27-50-114)108(157)132-51-28-40-82(132)105(154)125-78(58-69-34-20-16-21-35-69)101(150)129-90(64(7)8)107(156)126-80(112(161)162)59-70-36-22-17-23-37-70/h15-23,32-37,62-67,71-85,89-92,136H,13-14,24-31,38-61,113-115H2,1-12H3,(H2,116,137)(H,117,144)(H,118,143)(H,119,152)(H,120,153)(H,121,155)(H,122,149)(H,123,145)(H,124,148)(H,125,154)(H,126,156)(H,127,146)(H,128,147)(H,129,150)(H,130,142)(H,131,151)(H,138,139)(H,140,141)(H,161,162)/t65-,66-,67-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,89-,90-,91-,92-/m0/s1
InChIKey
KIYMLWIZXQPEHU-UKELCRPCSA-N
Chemical Structure
2D Structure
2D structure of Virip
CAS: 339332-64-8
CID: 16729382
Formula: C112H171N23O27S
MW: 2303.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2303.8
XLogP3-3.9
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count31
Rotatable Bond Count69
Exact Mass2303.2469033
Monoisotopic Mass2302.2435484
Topological Polar Surface Area796 Ų
Heavy Atom Count163
Formal Charge0
Complexity5000
Isotope Atom Count0
Defined Atom Stereocenter Count22
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-P10437VIRIP

Popular Products