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Zuvotolimod

CAT: 0607-BA2517-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA2517-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2355262-97-2
Form
A solid
Molecular Formula
C55H70N12O10
Molecular Weight
1059.22
Shipping Conditions
Blue ice
Storage Conditions
Tightly sealed and desiccated at -20°C, protect from light.

Chemical Information

Zuvotolimod
CAS Number2355262-97-2
PubChem CID138492313
IUPAC Name[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
Molecular FormulaC55H70N12O10
Molecular Weight1059.2
XLogP2.2
Topological Polar Surface Area310
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count26
Heavy Atom Count77
Formal Charge0
Complexity2170
SMILES
CCCN(CCC)C(=O)C1=CC2=C(C=C(C=C2)C(=O)NC3=CC4=C(CCN(C4)C(=O)OCC5=CC=C(C=C5)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN6C(=O)C=CC6=O)N=C3)N=C(C1)N
InChI
InChI=1S/C55H70N12O10/c1-5-23-65(24-6-2)53(74)38-27-36-15-16-37(29-44(36)62-45(56)30-38)50(71)61-41-28-39-32-66(26-21-42(39)59-31-41)55(76)77-33-35-13-17-40(18-14-35)60-51(72)43(11-10-22-58-54(57)75)63-52(73)49(34(3)4)64-46(68)12-8-7-9-25-67-47(69)19-20-48(67)70/h13-20,27-29,31,34,43,49H,5-12,21-26,30,32-33H2,1-4H3,(H2,56,62)(H,60,72)(H,61,71)(H,63,73)(H,64,68)(H3,57,58,75)/t43-,49-/m0/s1
InChIKey
JMDJMYUCIGMITJ-UCNLINEOSA-N
Chemical Structure
2D Structure
2D structure of Zuvotolimod
CAS: 2355262-97-2
CID: 138492313
Formula: C55H70N12O10
MW: 1059.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1059.2
XLogP32.2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count26
Exact Mass1058.53378648
Monoisotopic Mass1058.53378648
Topological Polar Surface Area310 Ų
Heavy Atom Count77
Formal Charge0
Complexity2170
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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