5,8-Dideazaisopteroyl Triglutamate
[CAS# 85344-30-5]

Identification

• Name: 5,8-Dideazaisopteroyl Triglutamate
• Synonyms: (2S)-2-[[(4S)-4-[[(4S)-4-[[4-[[(2-Amino-4-Oxo-1H-Quinazolin-6-Yl)Amino]Methyl]Benzoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Amino]Pentanedioic Acid; (2S)-2-[[(4S)-4-[[(4S)-4-[[[4-[[(2-Amino-4-Oxo-1H-Quinazolin-6-Yl)Amino]Methyl]Phenyl]-Oxomethyl]Amino]-5-Hydroxy-1,5-Dioxopentyl]Amino]-5-Hydroxy-1,5-Dioxopentyl]Amino]Pentanedioic Acid; (2S)-2-[[(4S)-4-[[(4S)-4-[[4-[[(2-Amino-4-Keto-1H-Quinazolin-6-Yl)Amino]Methyl]Benzoyl]Amino]-5-Hydroxy-5-Keto-Pentanoyl]Amino]-5-Hydroxy-5-Keto-Pentanoyl]Amino]Glutaric Acid
• Molecular Formula: C₃₁H₃₅N₇O₁₂
• Molecular Weight: 697.66
• CAS Registry Number: 85344-30-5
• SMILES: [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)CNC3=CC2=C(NC(=NC2=O)N)C=C3)=O)=O)=O)CCC(=O)O
• InChI: 1S/C31H35N7O12/c32-31-37-19-6-5-17(13-18(19)27(44)38-31)33-14-15-1-3-16(4-2-15)26(43)36-22(30(49)50)8-11-24(40)34-20(28(45)46)7-10-23(39)35-21(29(47)48)9-12-25(41)42/h1-6,13,20-22,33H,7-12,14H2,(H,34,40)(H,35,39)(H,36,43)(H,41,42)(H,45,46)(H,47,48)(H,49,50)(H3,32,37,38,44)/t20-,21-,22-/m0/s1
• InChIKey: AQWVCRHNXTWSCY-FKBYEOEOSA-N

Properties

• Density: 1.597g/cm³ (Cal.)