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Vipivotide tetraxetan

CAT: 1410-M26397-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M26397-01Size:2 mg
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Description
Vipivotide tetraxetan is a high potent inhibitor of prostate-specific membrane antigen (PSMA) (Ki of 0.37 nM) .
CAS Number
1702967-37-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
1042.154
Molecular Weight
C49H71N9O16
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Vipivotide tetraxetan

See also: Vipivotide Tetraxetan (annotation moved to).

CAS Number1702967-37-0
PubChem CID122706786
IUPAC Name(2S)-2-[[(1S)-1-carboxy-5-[[(2S)-3-naphthalen-2-yl-2-[[4-[[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]methyl]cyclohexanecarbonyl]amino]propanoyl]amino]pentyl]carbamoylamino]pentanedioic acid
Molecular FormulaC49H71N9O16
Molecular Weight1042.1
XLogP-8.2
Topological Polar Surface Area365
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count20
Rotatable Bond Count27
Heavy Atom Count74
Formal Charge0
Complexity1870
SMILES
C1CC(CCC1CNC(=O)CN2CCN(CCN(CCN(CC2)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H](CC3=CC4=CC=CC=C4C=C3)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C49H71N9O16/c59-40(28-55-17-19-56(29-42(62)63)21-23-58(31-44(66)67)24-22-57(20-18-55)30-43(64)65)51-27-32-8-12-35(13-9-32)45(68)52-39(26-33-10-11-34-5-1-2-6-36(34)25-33)46(69)50-16-4-3-7-37(47(70)71)53-49(74)54-38(48(72)73)14-15-41(60)61/h1-2,5-6,10-11,25,32,35,37-39H,3-4,7-9,12-24,26-31H2,(H,50,69)(H,51,59)(H,52,68)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,70,71)(H,72,73)(H2,53,54,74)/t32?,35?,37-,38-,39-/m0/s1
InChIKey
JBHPLHATEXGMQR-VLOIPPKDSA-N
Chemical Structure
2D Structure
2D structure of Vipivotide tetraxetan
CAS: 1702967-37-0
CID: 122706786
Formula: C49H71N9O16
MW: 1042.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1042.1
XLogP3-8.2
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count20
Rotatable Bond Count27
Exact Mass1041.50187721
Monoisotopic Mass1041.50187721
Topological Polar Surface Area365 Ų
Heavy Atom Count74
Formal Charge0
Complexity1870
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A20653-10Vipivotide tetraxetan Linker 10mg
A20653-50Vipivotide tetraxetan Linker 50mg
A20653-5Vipivotide tetraxetan Linker 5mg
A20653-500Vipivotide tetraxetan Linker 500mg
A20653-25Vipivotide tetraxetan Linker 25mg

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