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IFN-γ Antagonist

CAT: 0121-4030819.0500Size: 0.5 mgDry Ice: NoHazardous: No
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CAS Number
158040-83-6
Specifications
H-2722.0500
Synonyms
(Tyr¹²¹, Cys (Acm) ¹²²) -IFN-γ Receptor (120-141) (human)
Sequence
H-Ala-Tyr-Cys (Acm) -Arg-Asp-Gly-Lys-Ile-Gly-Pro-Pro-Lys-Leu-Asp-Ile-Arg-Lys-Glu-Glu-Lys-Gln-Ile-OH
Molecular Formula
C₁₁₅H₁₉₄N₃₄O₃₄S
Molecular Weight
2629.08
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

IFN-gamma Antagonist
CAS Number158040-83-6
PubChem CID131698044
IUPAC Name(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-6-aminohexanoyl]amino]-3-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-aminohexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-methylpentanoic acid
Molecular FormulaC115H194N34O34S
Molecular Weight2629.0
XLogP-17.9
Topological Polar Surface Area1150
Hydrogen Bond Donor Count38
Hydrogen Bond Acceptor Count42
Rotatable Bond Count94
Heavy Atom Count184
Formal Charge0
Complexity5760
SMILES
CC[C@H](C)[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSCNC(=O)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C)N
InChI
InChI=1S/C115H194N34O34S/c1-11-61(6)91(145-103(172)68(26-14-18-44-116)131-85(153)56-128-95(164)79(54-89(159)160)142-100(169)72(30-22-48-126-114(122)123)134-108(177)81(58-184-59-130-65(10)150)144-106(175)78(140-94(163)64(9)120)53-66-34-36-67(151)37-35-66)110(179)129-57-86(154)148-50-25-33-83(148)112(181)149-51-24-32-82(149)109(178)138-71(29-17-21-47-119)99(168)141-77(52-60(4)5)105(174)143-80(55-90(161)162)107(176)146-92(62(7)12-2)111(180)139-73(31-23-49-127-115(124)125)98(167)132-69(27-15-19-45-117)97(166)136-76(40-43-88(157)158)102(171)137-75(39-42-87(155)156)101(170)133-70(28-16-20-46-118)96(165)135-74(38-41-84(121)152)104(173)147-93(113(182)183)63(8)13-3/h34-37,60-64,68-83,91-93,151H,11-33,38-59,116-120H2,1-10H3,(H2,121,152)(H,128,164)(H,129,179)(H,130,150)(H,131,153)(H,132,167)(H,133,170)(H,134,177)(H,135,165)(H,136,166)(H,137,171)(H,138,178)(H,139,180)(H,140,163)(H,141,168)(H,142,169)(H,143,174)(H,144,175)(H,145,172)(H,146,176)(H,147,173)(H,155,156)(H,157,158)(H,159,160)(H,161,162)(H,182,183)(H4,122,123,126)(H4,124,125,127)/t61-,62-,63-,64-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,91-,92-,93-/m0/s1
InChIKey
MIQGNZNLJDUVPW-FPTMUGPJSA-N
Chemical Structure
2D Structure
2D structure of IFN-gamma Antagonist
CAS: 158040-83-6
CID: 131698044
Formula: C115H194N34O34S
MW: 2629.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight2629.0
XLogP3-17.9
Hydrogen Bond Donor Count38
Hydrogen Bond Acceptor Count42
Rotatable Bond Count94
Exact Mass2628.4250954
Monoisotopic Mass2627.4217406
Topological Polar Surface Area1150 Ų
Heavy Atom Count184
Formal Charge0
Complexity5760
Isotope Atom Count0
Defined Atom Stereocenter Count23
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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