Products for Research Use Only
RegisterLogin

Bevonescein

CAT: 0931-T82892-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T82892-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2276787-79-0
Bioactivity
Bevonescein (ALM-488) is a fluorescent peptide that selectively binds to human neurons, acting as a diagnostic imaging agent [1] [2].
Smiles
O=C1OC2(C=3C1=CC(C(N[C@H](C(N[C@H](C(=O)N4[C@H](C(N[C@@H](CC=5C=6C(NC5)=CC=CC6)C(N[C@H](C(N[C@H](C(=O)N7[C@H](C(N[C@@H](CC8=CC=C(O)C=C8)C(N[C@@H](CC9=CC=C(O)C=C9)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(NCC(N)=O)=O)=O)CO)=O)CO)=O)CCCCN)=O)CCCCN)=O)C(C)C)=O)[C@@H](C)C)=O)=O)=O)CCC7)CCC(O)=O)=O)CCC(O)=O)=O)=O)CCC4)[C@@H](C)C)=O)CCC(N)=O)=O)=CC3)C=%10C(OC=%11C2=CC=C(O)C%11)=CC(O)=CC%10
Molecular Formula
C112H144N22O32
Molecular Weight
2310.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bevonescein

Bevonescein is under investigation in clinical trial NCT06227585 (Feasibility Study- REVEAL 475 for Bevonescein-assisted Nerve Visualization in Head & Neck Surgery).

CAS Number2276787-79-0
PubChem CID167312358
IUPAC Name(4S)-5-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-carboxy-1-oxobutan-2-yl]amino]-4-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl)amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC112H144N22O32
Molecular Weight2310.5
XLogP-4.4
Topological Polar Surface Area863
Hydrogen Bond Donor Count28
Hydrogen Bond Acceptor Count34
Rotatable Bond Count61
Heavy Atom Count166
Formal Charge0
Complexity5260
SMILES
CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@@H]6CCCN6C(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)C7=CC8=C(C=C7)C9(C1=C(C=C(C=C1)O)OC1=C9C=CC(=C1)O)OC8=O
InChI
InChI=1S/C112H144N22O32/c1-56(2)92(107(160)123-74(18-10-12-42-114)97(150)121-73(17-9-11-41-113)98(151)129-82(55-136)104(157)128-81(54-135)96(149)119-53-89(143)118-52-88(116)142)131-108(161)93(57(3)4)130-103(156)79(46-60-23-28-64(138)29-24-60)125-101(154)78(45-59-21-26-63(137)27-22-59)126-105(158)83-19-13-43-133(83)109(162)77(37-40-91(146)147)124-99(152)76(36-39-90(144)145)122-102(155)80(48-62-51-117-72-16-8-7-15-67(62)72)127-106(159)84-20-14-44-134(84)110(163)94(58(5)6)132-100(153)75(35-38-87(115)141)120-95(148)61-25-32-69-68(47-61)111(164)166-112(69)70-33-30-65(139)49-85(70)165-86-50-66(140)31-34-71(86)112/h7-8,15-16,21-34,47,49-51,56-58,73-84,92-94,117,135-140H,9-14,17-20,35-46,48,52-55,113-114H2,1-6H3,(H2,115,141)(H2,116,142)(H,118,143)(H,119,149)(H,120,148)(H,121,150)(H,122,155)(H,123,160)(H,124,152)(H,125,154)(H,126,158)(H,127,159)(H,128,157)(H,129,151)(H,130,156)(H,131,161)(H,132,153)(H,144,145)(H,146,147)/t73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,92-,93-,94-/m0/s1
InChIKey
QOJOBKQIRSTJPM-VAIPJCBFSA-N
Chemical Structure
2D Structure
2D structure of Bevonescein
CAS: 2276787-79-0
CID: 167312358
Formula: C112H144N22O32
MW: 2310.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2310.5
XLogP3-4.4
Hydrogen Bond Donor Count28
Hydrogen Bond Acceptor Count34
Rotatable Bond Count61
Exact Mass2310.0350553
Monoisotopic Mass2309.0317005
Topological Polar Surface Area863 Ų
Heavy Atom Count166
Formal Charge0
Complexity5260
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5824542Bevonescein

Popular Products