Dihydropteroyl Hexaglutamate
[CAS# 49637-65-2]

Identification

• Name: Dihydropteroyl Hexaglutamate
• Synonyms: (2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[4-[(2-Amino-4-Oxo-7,8-Dihydro-1H-Pteridin-6-Yl)Methylamino]Benzoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Amino]Pentanedioic Acid; (2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[[4-[(2-Amino-4-Oxo-7,8-Dihydro-1H-Pteridin-6-Yl)Methylamino]Phenyl]-Oxomethyl]Amino]-5-Hydroxy-1,5-Dioxopentyl]Amino]-5-Hydroxy-1,5-Dioxopentyl]Amino]-5-Hydroxy-1,5-Dioxopentyl]Amino]-5-Hydroxy-1,5-Dioxopentyl]Amino]-5-Hydroxy-1,5-Dioxopentyl]Amino]Pentanedioic Acid; (2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[4-[(2-Amino-4-Keto-7,8-Dihydro-1H-Pteridin-6-Yl)Methylamino]Benzoyl]Amino]-5-Hydroxy-5-Keto-Pentanoyl]Amino]-5-Hydroxy-5-Keto-Pentanoyl]Amino]-5-Hydroxy-5-Keto-Pentanoyl]Amino]-5-Hydroxy-5-Keto-Pentanoyl]Amino]-5-Hydroxy-5-Keto-Pentanoyl]Amino]Glutaric Acid
• Molecular Formula: C₄₄H₅₆N₁₂O₂₁
• Molecular Weight: 1088.99
• CAS Registry Number: 49637-65-2
• SMILES: [C@H](C(=O)O)(NC(CC[C@@H](C(=O)O)NC(CC[C@@H](C(=O)O)NC(CC[C@@H](C(=O)O)NC(CC[C@@H](C(=O)O)NC(CC[C@@H](C(=O)O)NC(C1=CC=C(C=C1)NCC3=NC2=C(NC(=NC2=O)N)NC3)=O)=O)=O)=O)=O)=O)CCC(=O)O
• InChI: 1S/C44H56N12O21/c45-44-55-35-34(37(65)56-44)48-21(18-47-35)17-46-20-3-1-19(2-4-20)36(64)54-27(43(76)77)9-15-32(61)52-25(41(72)73)7-13-30(59)50-23(39(68)69)5-11-28(57)49-22(38(66)67)6-12-29(58)51-24(40(70)71)8-14-31(60)53-26(42(74)75)10-16-33(62)63/h1-4,22-27,46H,5-18H2,(H,49,57)(H,50,59)(H,51,58)(H,52,61)(H,53,60)(H,54,64)(H,62,63)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H4,45,47,55,56,65)/t22-,23-,24-,25-,26-,27-/m0/s1
• InChIKey: VAFWKCXKYMXFRJ-QCOJBMJGSA-N

Properties

• Density: 1.694g/cm³ (Cal.)