Products for Research Use Only
RegisterLogin

Val-Ala-PABC-Exatecan

CAT: 0607-BA2711-1Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-BA2711-1Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2845164-91-0
Form
A solid
Molecular Formula
C40H43FN6O8
Molecular Weight
754.80
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

Val-Ala-PABC-Exatecan
CAS Number2845164-91-0
PubChem CID168476107
IUPAC Name[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamate
Molecular FormulaC40H43FN6O8
Molecular Weight754.8
XLogP2
Topological Polar Surface Area202
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count55
Formal Charge0
Complexity1630
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)OCC7=CC=C(C=C7)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)N)O
InChI
InChI=1S/C40H43FN6O8/c1-6-40(53)26-13-30-34-24(15-47(30)37(50)25(26)17-54-38(40)51)32-28(12-11-23-19(4)27(41)14-29(45-34)31(23)32)46-39(52)55-16-21-7-9-22(10-8-21)44-35(48)20(5)43-36(49)33(42)18(2)3/h7-10,13-14,18,20,28,33,53H,6,11-12,15-17,42H2,1-5H3,(H,43,49)(H,44,48)(H,46,52)/t20-,28-,33-,40-/m0/s1
InChIKey
ZACAMCPLQSLRJF-PICQSYHMSA-N
Chemical Structure
2D Structure
2D structure of Val-Ala-PABC-Exatecan
CAS: 2845164-91-0
CID: 168476107
Formula: C40H43FN6O8
MW: 754.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight754.8
XLogP32
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass754.31264051
Monoisotopic Mass754.31264051
Topological Polar Surface Area202 Ų
Heavy Atom Count55
Formal Charge0
Complexity1630
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
BA2636-5Mal-PEG8-Val-Ala-PAB-Exatecan
BA2636-1Mal-PEG8-Val-Ala-PAB-Exatecan
BA2692-10Val-Cit-PAB-Exatecan
BA2692-5Val-Cit-PAB-Exatecan
BA2692-1Val-Cit-PAB-Exatecan
BA2365-5000Val-Ala-PAB
BA2365-250Val-Ala-PAB
BA2365-1000Val-Ala-PAB
BA2488-5000Boc-Val-Ala-PAB
BA2662-1SG3199-Val-Ala-PAB

Alternative Products

CatalogName
GTR19231386-01Val-Ala-PABC-Exatecan
HY-147095A-01Val-Ala-PABC-Exatecan (trifluoroacetate)
T84760-01Val-Ala-PABC-Exatecan trifluoroacetate
HY-164647Val-Ala-PABC-N (Mesylpropane) -Exatecan
T210797-01Aminocaproyl-Val-Cit-PABC-Exatecan
HY-171931A-01Aminocaproyl-Val-Cit-PABC-Exatecan (TFA)
T211003-01Aminocaproyl-Val-Cit-PABC-Exatecan TFA
HY-178145Mc-Lys (PEG12) -Cap-Ala-Ala-PABC-exatecan
T77822Mal-PEG8-Val-Ala-PABC
HY-176766Mal-PEG8-Val-Ala-Exatecan

Popular Products