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이름: N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid monosodium salt

IUPAC: sodium (2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-hydroxy-5-oxopentanoate

SMILES: Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])cc3)c[nH]c2[nH]1.[Na+]

Canonical SMILES: C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)NC(CCC(=O)O)C(=O)[O-].[Na+]

분자식: C20H20N5NaO6

분자량: 449.40

InChIKey: MTGXRMSCOAWKLG-ZOWNYOTGSA-M

InChI: InChI=1S/C20H21N5O6.Na/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);/q;+1/p-1/t13-;/m0./s1

PubChem CID: 136403600 →

동의어

SCHEMBL4987130MTGXRMSCOAWKLG-ZOWNYOTGSA-MN-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid monosodium salt

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