Ec-17
(2S)-5-amino-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]ethyl]amino]-5-oxopentanoic acid
Molecular Identity
Ec-17
(2S)-5-amino-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]ethyl]amino]-5-oxopentanoic acid
PubChem CID: 135564966
2D Structure
Properties
C42H36N10O10S
Molecular Formula
872.90
Molecular Weight
g/mol
872.2337
Exact Mass
Da
1.3
XLogP
Drug-like (Lipinski: < 5)
338
TPSA
May have limited oral absorption
9
H-Bond Donors
15
H-Bond Acceptors
1760
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC=C1C(=O)N(CCNC(=S)NC2=CC3=C(C=C2)C4(C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O)OC3=O)C(CCC(=O)N)C(=O)O)NCC7=CN=C8C(=N7)C(=O)NC(=N8)NIsomeric SMILES
SMILES: C1=CC(=CC=C1C(=O)N(CCNC(=S)NC2=CC3=C(C=C2)C4(C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O)OC3=O)[C@@H](CCC(=O)N)C(=O)O)NCC7=CN=C8C(=N7)C(=O)NC(=N8)NSynonyms(20)
EC-17Folate-FITCEC17 (Folate-FITC)Folate-fluorescein conjugateEC 17583037-91-6UNII-V7YQ6134AEEC 17 [WHO-DD]DTXSID40207031(2S)-5-amino-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]ethyl]amino]-5-oxopentanoic acid(2S)-5-amino-2-((4-((2-amino-4-oxo-3H-pteridin-6-yl)methylamino)benzoyl)-(2-((3',6'-dihydroxy-3-oxospiro(2-benzofuran-1,9'-xanthene)-5-yl)carbamothioylamino)ethyl)amino)-5-oxopentanoic acidRefChem:136194DTXCID40129522Folate Fluorescein Isothiocyanate ConjugateV7YQ6134AE
Data from PubChem (NCBI)
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