N-(N-(4-(((2,4-Diamino-6-Pteridinyl)Methyl)Methylamino)Benzoyl)-L-Phenylalanyl)-L-Glutamic Acid
[CAS# 65118-40-3]

Identification

• Name: N-(N-(4-(((2,4-Diamino-6-Pteridinyl)Methyl)Methylamino)Benzoyl)-L-Phenylalanyl)-L-Glutamic Acid
• Synonyms: (2S)-2-[[(2S)-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-3-Phenyl-Propanoyl]Amino]Pentanedioic Acid; (2S)-2-[[(2S)-2-[[[4-[(2,4-Diamino-6-Pteridinyl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]Pentanedioic Acid; (2S)-2-[[(2S)-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-3-Phenyl-Propanoyl]Amino]Glutaric Acid
• Molecular Formula: C₂₉H₃₁N₉O₆
• Molecular Weight: 601.62
• CAS Registry Number: 65118-40-3
• SMILES: [C@@H](NC(=O)C3=CC=C(N(CC2=NC1=C(N=C(N=C1N=C2)N)N)C)C=C3)(C(=O)N[C@H](C(=O)O)CCC(=O)O)CC4=CC=CC=C4
• InChI: 1S/C29H31N9O6/c1-38(15-18-14-32-25-23(33-18)24(30)36-29(31)37-25)19-9-7-17(8-10-19)26(41)35-21(13-16-5-3-2-4-6-16)27(42)34-20(28(43)44)11-12-22(39)40/h2-10,14,20-21H,11-13,15H2,1H3,(H,34,42)(H,35,41)(H,39,40)(H,43,44)(H4,30,31,32,36,37)/t20-,21-/m0/s1
• InChIKey: WPJOEYTWIDDCCP-SFTDATJTSA-N