N-(N-(N-(N-(4-(((2-Amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-L-gamma-glutamyl)-L-gamma-glutamyl)-L-gamma-glutamyl)-L-Glutamic acid
[CAS# 50998-20-4]

Identification

• Name: N-(N-(N-(N-(4-(((2-Amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-L-gamma-glutamyl)-L-gamma-glutamyl)-L-gamma-glutamyl)-L-Glutamic acid
• Synonyms: (2S,6R)-2-Amino-6-[[(4S)-4-Amino-5-Hydroxy-5-Oxo-Pentanoyl]-[4-[(2-Amino-5-Methyl-4-Oxo-1,6,7,8-Tetrahydropteridin-6-Yl)Methylamino]Benzoyl]Amino]-6-[(4S)-4-Amino-5-Hydroxy-5-Oxo-Pentanoyl]Oxycarbonyl-5-Oxo-Nonanedioic Acid; (2S,6R)-2-Amino-6-[[(4S)-4-Amino-5-Hydroxy-1,5-Dioxopentoxy]-Oxomethyl]-6-[[(4S)-4-Amino-5-Hydroxy-1,5-Dioxopentyl]-[[4-[(2-Amino-5-Methyl-4-Oxo-1,6,7,8-Tetrahydropteridin-6-Yl)Methylamino]Phenyl]-Oxomethyl]Amino]-5-Oxononanedioic Acid; (2S,6R)-2-Amino-6-[[(4S)-4-Amino-5-Hydroxy-5-Keto-Pentanoyl]-[4-[(2-Amino-4-Keto-5-Methyl-1,6,7,8-Tetrahydropteridin-6-Yl)Methylamino]Benzoyl]Amino]-6-[(4S)-4-Amino-5-Hydroxy-5-Keto-Pentanoyl]Oxycarbonyl-5-Keto-Azelaic Acid
• Molecular Formula: C₃₅H₄₆N₁₀O₁₅
• Molecular Weight: 846.81
• CAS Registry Number: 50998-20-4
• SMILES: [C@@](N(C(=O)C3=CC=C(NCC1N(C2=C(NC1)NC(=NC2=O)N)C)C=C3)C(=O)CC[C@H](N)C(=O)O)(C(OC(=O)CC[C@H](N)C(=O)O)=O)(C(=O)CC[C@H](N)C(=O)O)CCC(=O)O
• InChI: 1S/C35H46N10O15/c1-44-18(15-41-27-26(44)28(51)43-34(39)42-27)14-40-17-4-2-16(3-5-17)29(52)45(23(47)10-7-20(37)31(55)56)35(13-12-24(48)49,22(46)9-6-19(36)30(53)54)33(59)60-25(50)11-8-21(38)32(57)58/h2-5,18-21,40H,6-15,36-38H2,1H3,(H,48,49)(H,53,54)(H,55,56)(H,57,58)(H4,39,41,42,43,51)/t18?,19-,20-,21-,35+/m0/s1
• InChIKey: KEWZORTWSDTRER-SOLBPBFRSA-N

Properties

• Density: 1.665g/cm³ (Cal.)
• Boiling point: 1151.08°C at 760 mmHg (Cal.)
• Flash point: 649.95°C (Cal.)