(2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[4-[(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methyl-Formyl-Amino]Benzoyl]Amino]-4-Carboxy-Butanoyl]Amino]-4-Carboxy-Butanoyl]Amino]-4-Carboxy-Butanoyl]Amino]-4-Carboxy-Butanoyl]Amino]Pentanedioic Acid
[CAS# 41432-72-8]

Identification

• Name: (2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[4-[(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methyl-Formyl-Amino]Benzoyl]Amino]-4-Carboxy-Butanoyl]Amino]-4-Carboxy-Butanoyl]Amino]-4-Carboxy-Butanoyl]Amino]-4-Carboxy-Butanoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[4-[(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methyl-Formyl-Amino]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]Pentanedioic Acid; (2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[[4-[(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methyl-Formylamino]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]Pentanedioic Acid; (2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[4-[(2-Amino-4-Keto-1H-Pteridin-6-Yl)Methyl-Formyl-Amino]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]Glutaric Acid
• Molecular Formula: C₄₀H₄₇N₁₁O₁₉
• Molecular Weight: 985.87
• CAS Registry Number: 41432-72-8
• 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(C1=CC=C(C=C1)N(C=O)CC3=NC2=C(NC(=NC2=O)N)N=C3)=O)=O)=O)=O)=O)CCC(=O)O
• InChI: 1S/C40H47N11O19/c41-40-49-32-31(34(60)50-40)43-19(15-42-32)16-51(17-52)20-3-1-18(2-4-20)33(59)48-25(39(69)70)8-13-29(56)46-23(37(65)66)6-11-27(54)44-21(35(61)62)5-10-26(53)45-22(36(63)64)7-12-28(55)47-24(38(67)68)9-14-30(57)58/h1-4,15,17,21-25H,5-14,16H2,(H,44,54)(H,45,53)(H,46,56)(H,47,55)(H,48,59)(H,57,58)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H3,41,42,49,50,60)/t21-,22-,23-,24-,25-/m0/s1
• InChIKey: AIQOHUVZTIREKD-KEOOTSPTSA-N

Properties

• Density: 1.683g/cm³ (Cal.)