N(alpha)-(4-Amino-4-Deoxy-N(10)-Methylpteroyl)-N-(epsilon)-(5-(N,N-Dimethylamino)-1-Naphthalenesulfonyl)Lysine
[CAS# 83416-29-9]

Identification

• Name: N(alpha)-(4-Amino-4-Deoxy-N(10)-Methylpteroyl)-N-(epsilon)-(5-(N,N-Dimethylamino)-1-Naphthalenesulfonyl)Lysine
• Synonyms: (2S)-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-6-[(5-Dimethylamino-1-Naphthyl)Sulfonylamino]Hexanoic Acid; (2S)-2-[[[4-[(2,4-Diamino-6-Pteridinyl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]-6-[(5-Dimethylamino-1-Naphthyl)Sulfonylamino]Hexanoic Acid; (2S)-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Phenyl]Carbonylamino]-6-[(5-Dimethylaminonaphthalen-1-Yl)Sulfonylamino]Hexanoic Acid
• Molecular Formula: C₃₃H₃₈N₁₀O₅S
• Molecular Weight: 686.79
• CAS Registry Number: 83416-29-9
• SMILES: [C@H](NC(=O)C3=CC=C(N(CC2=NC1=C(N=C(N=C1N=C2)N)N)C)C=C3)(CCCCN[S](=O)(=O)C4=C5C(=CC=C4)C(=CC=C5)N(C)C)C(=O)O
• InChI: 1S/C33H38N10O5S/c1-42(2)26-11-6-9-24-23(26)8-7-12-27(24)49(47,48)37-17-5-4-10-25(32(45)46)39-31(44)20-13-15-22(16-14-20)43(3)19-21-18-36-30-28(38-21)29(34)40-33(35)41-30/h6-9,11-16,18,25,37H,4-5,10,17,19H2,1-3H3,(H,39,44)(H,45,46)(H4,34,35,36,40,41)/t25-/m0/s1
• InChIKey: NHYGKDYDTKGEIW-VWLOTQADSA-N

Properties

• Density: 1.417g/cm³ (Cal.)