gamma-tert-Butyl Aminopterin
[CAS# 95484-98-3]

Identification

• Name: gamma-tert-Butyl Aminopterin
• Synonyms: (2S)-5-Tert-Butoxy-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methylamino]Benzoyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-5-Tert-Butoxy-2-[[[4-[(2,4-Diamino-6-Pteridinyl)Methylamino]Phenyl]-Oxomethyl]Amino]-5-Oxopentanoic Acid; (2S)-5-Tert-Butoxy-2-[[4-[(2,4-Diaminopteridi
• Molecular Formula: C₂₃H₂₈N₈O₅
• Molecular Weight: 496.52
• CAS Registry Number: 95484-98-3
• SMILES: [C@@H](NC(=O)C3=CC=C(NCC2=NC1=C(N=C(N=C1N=C2)N)N)C=C3)(C(=O)O)CCC(OC(C)(C)C)=O
• InChI: 1S/C23H28N8O5/c1-23(2,3)36-16(32)9-8-15(21(34)35)29-20(33)12-4-6-13(7-5-12)26-10-14-11-27-19-17(28-14)18(24)30-22(25)31-19/h4-7,11,15,26H,8-10H2,1-3H3,(H,29,33)(H,34,35)(H4,24,25,27,30,31)/t15-/m0/s1
• InChIKey: XNVKVOKOYAOROU-HNNXBMFYSA-N