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Alrefimotide

CAT: 0931-T83135-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T83135-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1331848-79-3
Bioactivity
Alrefimotide, an immunogenic peptide derived from hTERT, possesses the sequence ALFSVLNYERARRPGLLGASVLGLDDIHRA and has applications in cancer immunotherapy research [1].
Smiles
C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC1=CC=C(O)C=C1)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC2=CC=CC=C2)NC([C@@H](NC([C@H](C)N)=O)CC(C)C)=O)=O)CO)=O)[C@H](C)C)=O)CC(C)C)=O)CC(N)=O)=O)=O)CCC(O)=O)=O)CCCNC(=N)N)=O)C)=O)CCCNC(=N)N)=O)CCCNC(=N)N)(=O)N3[C@H](C(NCC(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC4=CN=CN4)C(N[C@@H](CCCNC(=N)N)C(N[C@H](C(O)=O)C)=O)=O)=O)[C@H](CC)C)=O)CC(O)=O)=O)CC(O)=O)=O)CC(C)C)=O)=O)CC(C)C)=O)[C@H](C)C)=O)CO)=O)C)=O)=O)CC(C)C)=O)CC(C)C)=O)=O)CCC3
Molecular Formula
C146H239N45O41
Molecular Weight
3280.74
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-Ala-Leu-Phe-Ser-Val-Leu-Asn-Tyr-Glu-Arg-Ala-Arg-Arg-Pro-Gly-Leu-Leu-Gly-Ala-Ser-Val-Leu-Gly-Leu-Asp-Asp-Ile-His-Arg-Ala-OH
CAS Number1331848-79-3
PubChem CID171361239
IUPAC Name(4S)-4-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(2S)-5-carbamimidamido-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-5-carbamimidamido-1-[(2S)-2-[[2-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(1S)-1-carboxyethyl]amino]-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC146H239N45O41
Molecular Weight3280.7
XLogP-6.6
Topological Polar Surface Area1390
Hydrogen Bond Donor Count50
Hydrogen Bond Acceptor Count47
Rotatable Bond Count111
Heavy Atom Count232
Formal Charge0
Complexity7670
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N
InChI
InChI=1S/C146H239N45O41/c1-23-77(18)115(140(229)185-99(58-84-62-157-68-165-84)131(220)173-87(35-28-46-159-144(151)152)122(211)168-81(22)142(231)232)190-134(223)102(61-112(203)204)182-133(222)101(60-111(201)202)181-126(215)94(53-72(8)9)169-108(197)64-163-120(209)92(51-70(4)5)183-138(227)113(75(14)15)188-135(224)103(66-192)186-117(206)79(20)166-107(196)63-162-119(208)91(50-69(2)3)177-125(214)93(52-71(6)7)170-109(198)65-164-137(226)105-38-31-49-191(105)141(230)90(37-30-48-161-146(155)156)175-123(212)88(36-29-47-160-145(153)154)171-118(207)80(21)167-121(210)86(34-27-45-158-143(149)150)172-124(213)89(43-44-110(199)200)174-129(218)98(57-83-39-41-85(194)42-40-83)179-132(221)100(59-106(148)195)180-128(217)96(55-74(12)13)184-139(228)114(76(16)17)189-136(225)104(67-193)187-130(219)97(56-82-32-25-24-26-33-82)178-127(216)95(54-73(10)11)176-116(205)78(19)147/h24-26,32-33,39-42,62,68-81,86-105,113-115,192-194H,23,27-31,34-38,43-61,63-67,147H2,1-22H3,(H2,148,195)(H,157,165)(H,162,208)(H,163,209)(H,164,226)(H,166,196)(H,167,210)(H,168,211)(H,169,197)(H,170,198)(H,171,207)(H,172,213)(H,173,220)(H,174,218)(H,175,212)(H,176,205)(H,177,214)(H,178,216)(H,179,221)(H,180,217)(H,181,215)(H,182,222)(H,183,227)(H,184,228)(H,185,229)(H,186,206)(H,187,219)(H,188,224)(H,189,225)(H,190,223)(H,199,200)(H,201,202)(H,203,204)(H,231,232)(H4,149,150,158)(H4,151,152,159)(H4,153,154,160)(H4,155,156,161)/t77-,78-,79-,80-,81-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,113-,114-,115-/m0/s1
InChIKey
CKZZWRLZOMPFDB-UKMWEGMOSA-N
Chemical Structure
2D Structure
2D structure of H-Ala-Leu-Phe-Ser-Val-Leu-Asn-Tyr-Glu-Arg-Ala-Arg-Arg-Pro-Gly-Leu-Leu-Gly-Ala-Ser-Val-Leu-Gly-Leu-Asp-Asp-Ile-His-Arg-Ala-OH
CAS: 1331848-79-3
CID: 171361239
Formula: C146H239N45O41
MW: 3280.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3280.7
XLogP3-6.6
Hydrogen Bond Donor Count50
Hydrogen Bond Acceptor Count47
Rotatable Bond Count111
Exact Mass3279.8033670
Monoisotopic Mass3278.8000122
Topological Polar Surface Area1390 Ų
Heavy Atom Count232
Formal Charge0
Complexity7670
Isotope Atom Count0
Defined Atom Stereocenter Count28
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5824784Alrefimotide

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