N-alpha-(4-Amino-4-Deoxy-N(10)-Methylpteroyl)-N(delta)-(5-(N,N-Dimethylamino)-1-Naphthalenesulfonyl)Ornithine
[CAS# 83966-27-2]

Identification

• Name: N-alpha-(4-Amino-4-Deoxy-N(10)-Methylpteroyl)-N(delta)-(5-(N,N-Dimethylamino)-1-Naphthalenesulfonyl)Ornithine
• Synonyms: (2S)-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-5-[(5-Dimethylamino-1-Naphthyl)Sulfonylamino]Pentanoic Acid; (2S)-2-[[[4-[(2,4-Diamino-6-Pteridinyl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]-5-[(5-Dimethylamino-1-Naphthyl)Sulfonylamino]Pentanoic Acid; (2S)-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-5-[(5-Dimethylamino-1-Naphthyl)Sulfonylamino]Valeric Acid
• Molecular Formula: C₃₂H₃₆N₁₀O₅S
• Molecular Weight: 672.76
• CAS Registry Number: 83966-27-2
• SMILES: [C@H](NC(=O)C3=CC=C(N(CC2=NC1=C(N=C(N=C1N=C2)N)N)C)C=C3)(CCCN[S](=O)(=O)C4=C5C(=CC=C4)C(=CC=C5)N(C)C)C(=O)O
• InChI: 1S/C32H36N10O5S/c1-41(2)25-10-4-8-23-22(25)7-5-11-26(23)48(46,47)36-16-6-9-24(31(44)45)38-30(43)19-12-14-21(15-13-19)42(3)18-20-17-35-29-27(37-20)28(33)39-32(34)40-29/h4-5,7-8,10-15,17,24,36H,6,9,16,18H2,1-3H3,(H,38,43)(H,44,45)(H4,33,34,35,39,40)/t24-/m0/s1
• InChIKey: SJVMDYMKTVEZEE-DEOSSOPVSA-N

Properties

• Density: 1.437g/cm³ (Cal.)