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Boc-NMeVal-Val-Dil-Dap

CAT: 0013-GTR19233900-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233900-01Size:25 mg
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Description
This Boc-protected tetrapeptide linker, Boc-NMeVal-Val-Dil-Dap, is designed for the synthesis of Antibody-Drug Conjugates (ADCs) . It facilitates the stable attachment of cytotoxic payloads to antibodies, a critical step in developing targeted cancer therapeutics for both in vitro and in vivo research applications.
CAS Number
1369426-99-2
Field of Research
Cell Biology
Smiles
[C@H] ([C@H] (C (O) =O) C) (OC) [C@]1 (N (C (C[C@H] ([C@@H] (N (C ([C@@H] (NC ([C@@H] (N (C (OC (C) (C) C) =O) C) [C@@H] (C) C) =O) C (C) C) =O) C) [C@H] (CC) C) OC) =O) CCC1) [H]
Molecular Formula
C35H64N4O9
Molecular Weight
684.90
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Boc-NMeVal-Val-Dil-Dap
CAS Number1369426-99-2
PubChem CID71294483
IUPAC Name(2R,3R)-3-methoxy-3-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoic acid
Molecular FormulaC35H64N4O9
Molecular Weight684.9
XLogP4.4
Topological Polar Surface Area155
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count19
Heavy Atom Count48
Formal Charge0
Complexity1090
SMILES
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C35H64N4O9/c1-15-22(6)29(25(46-13)19-26(40)39-18-16-17-24(39)30(47-14)23(7)33(43)44)37(11)32(42)27(20(2)3)36-31(41)28(21(4)5)38(12)34(45)48-35(8,9)10/h20-25,27-30H,15-19H2,1-14H3,(H,36,41)(H,43,44)/t22-,23+,24-,25+,27-,28-,29-,30+/m0/s1
InChIKey
VBLMLZLMVRYBOT-ZULUKCPQSA-N
Chemical Structure
2D Structure
2D structure of Boc-NMeVal-Val-Dil-Dap
CAS: 1369426-99-2
CID: 71294483
Formula: C35H64N4O9
MW: 684.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight684.9
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count19
Exact Mass684.46732963
Monoisotopic Mass684.46732963
Topological Polar Surface Area155 Ų
Heavy Atom Count48
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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