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Propargyl-PEG4-GGFG-DXd

CAT: 0127-PC1005771-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1005771-01Size:1 mg
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CAS Number
2762518-94-3
Purity
98%
Smiles
C#CCOCCOCCOCCOCCC(NCC(NCC(N[C@@H](CC1=CC=CC=C1)C(NCC(NCOCC(N[C@H]2CCC3=C4C2=C(CN5C(C(COC([C@@]6(CC)O)=O)=C6C=C57)=O)C7=NC4=CC(F)=C3C)=O)=O)=O)=O)=O)=O

Chemical Information

Propargyl-PEG4-GGFG-DXd
CAS Number2762518-94-3
PubChem CID168679860
IUPAC Name(2S)-N-[2-[[2-[[(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]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]-3-phenyl-2-[[2-[[2-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoylamino]acetyl]amino]acetyl]amino]propanamide
Molecular FormulaC54H63FN8O15
Molecular Weight1083.1
XLogP-1.2
Topological Polar Surface Area300
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count17
Rotatable Bond Count29
Heavy Atom Count78
Formal Charge0
Complexity2290
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)COCNC(=O)CNC(=O)[C@H](CC7=CC=CC=C7)NC(=O)CNC(=O)CNC(=O)CCOCCOCCOCCOCC#C)O
InChI
InChI=1S/C54H63FN8O15/c1-4-14-73-16-18-75-20-21-76-19-17-74-15-13-43(64)56-25-44(65)57-27-46(67)61-41(22-33-9-7-6-8-10-33)51(69)58-26-45(66)59-31-77-30-47(68)60-39-12-11-34-32(3)38(55)24-40-48(34)49(39)35-28-63-42(50(35)62-40)23-37-36(52(63)70)29-78-53(71)54(37,72)5-2/h1,6-10,23-24,39,41,72H,5,11-22,25-31H2,2-3H3,(H,56,64)(H,57,65)(H,58,69)(H,59,66)(H,60,68)(H,61,67)/t39-,41-,54-/m0/s1
InChIKey
CJZYWDVYYUOXKY-VNBDUTHCSA-N
Chemical Structure
2D Structure
2D structure of Propargyl-PEG4-GGFG-DXd
CAS: 2762518-94-3
CID: 168679860
Formula: C54H63FN8O15
MW: 1083.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1083.1
XLogP3-1.2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count17
Rotatable Bond Count29
Exact Mass1082.43969149
Monoisotopic Mass1082.43969149
Topological Polar Surface Area300 Ų
Heavy Atom Count78
Formal Charge0
Complexity2290
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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