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Chemical structure of Gly-Gly-Phe-Gly-NH-O-CO-Exatecan hydrochloride

GC73055

Gly-Gly-Phe-Gly-NH-O-CO-Exatecan hydrochloride

Also known as (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-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-phenylpropanamide;hydrochloride

Gly-Gly-Phe-Gly-NH-O-CO-Exatecan, as a drug-linker conjugate composed of linker Gly-Gly-Phe-Gly-NH-O-CO and Exatecan, can be used to prepare antibody conjugate drugs

ChemicalCAS3053688-78-8MW877.31FormulaC42H46ClFN8O10
CAS number
3053688-78-8
Molecular weight
877.31
Formula
C42H46ClFN8O10
Solubility
DMSO : 100 mg/mL (113·98 mM; Need ultrasonic)
InChIKey
TVQVPAWTGTVHQV-SQLCOBTASA-N
Catalogue number
GC73055
Brand
GLPBIO
Computed properties PubChem CID 171037871 · TPSA 260 Ų · H-bond donors 8 · H-bond acceptors 13
TPSA
260 Ų
H-bond donors
8
H-bond acceptors
13
Rotatable bonds
15
Heavy atoms
62

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)CN)O.Cl

Computed descriptors from PubChem (CID 171037871), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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