N-(4-(3-Amino-1,2,5,6,6a,7,9,9a-octahydro-1-oxo-8H-pyrrolo(3',4':4,5)pyrido(2,3-d)pyrimidin-8-yl)bezoyl)-L-glutamic acid
[CAS# 143234-78-0]

Identification

• Name: N-(4-(3-Amino-1,2,5,6,6a,7,9,9a-octahydro-1-oxo-8H-pyrrolo(3',4':4,5)pyrido(2,3-d)pyrimidin-8-yl)bezoyl)-L-glutamic acid
• Synonyms: 5,10-Methylenetetrahydro-5-Deazafolic Acid; L-Glutamic Acid, N-(4-(3-Amino-1,2,5,6,6A,7,9,9A-Octahydro-1-Oxo-8H-Pyrrolo(3',4':4,5)Pyrido(2,3-D)Pyrimidin-8-Yl)Benozyl)-; N-(4-(3-Amino-1,2,5,6,6A,7,9,9A-Octahydro-1-Oxo-8H-Pyrrolo(3',4':4,5)Pyrido(2,3-D)Pyrimidin-8-Yl)Benozyl)-L-Glutamic Acid
• Molecular Formula: C₂₁H₂₄N₆O₆
• Molecular Weight: 456.46
• CAS Registry Number: 143234-78-0
• SMILES: [C@H](NC(=O)C4=CC=C(N1CC2C(C1)C3=C(NC2)NC(=NC3=O)N)C=C4)(CCC(O)=O)C(O)=O
• InChI: 1S/C21H24N6O6/c22-21-25-17-16(19(31)26-21)13-9-27(8-11(13)7-23-17)12-3-1-10(2-4-12)18(30)24-14(20(32)33)5-6-15(28)29/h1-4,11,13-14H,5-9H2,(H,24,30)(H,28,29)(H,32,33)(H4,22,23,25,26,31)/t11?,13?,14-/m0/s1
• InChIKey: RQJAUJZEWQYMCU-UBHUBRDASA-N

Properties

• Density: 1.714g/cm³ (Cal.)