(4R)-5-[[(2S)-5-(Diaminomethylideneamino)-1-Hydroxy-1-Oxopentan-2-Yl]Amino]-4-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methylamino]Benzoyl]Amino]-5-Oxopentanoic Acid
[CAS# 129921-89-7]

Identification

• Name: (4R)-5-[[(2S)-5-(Diaminomethylideneamino)-1-Hydroxy-1-Oxopentan-2-Yl]Amino]-4-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methylamino]Benzoyl]Amino]-5-Oxopentanoic Acid
• Synonyms: (4R)-5-[[(1S)-1-Carboxy-4-Guanidino-Butyl]Amino]-4-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-5-Oxo-Pentanoic Acid; (4R)-5-[[(1S)-1-Carboxy-4-Guanidinobutyl]Amino]-4-[[[4-[(2,4-Diamino-6-Pteridinyl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]-5-Oxopentanoic Acid; (4R)-5-[[(1S)-1-Carboxy-4-Guanidino-Butyl]Amino]-4-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₂₆H₃₄N₁₂O₆
• Molecular Weight: 610.63
• CAS Registry Number: 129921-89-7
• SMILES: [C@@H](NC(=O)C3=CC=C(N(CC2=CN=C1N=C(N=C(N)C1=N2)N)C)C=C3)(CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
• InChI: 1S/C26H34N12O6/c1-38(12-14-11-32-21-19(33-14)20(27)36-26(30)37-21)15-6-4-13(5-7-15)22(41)34-16(8-9-18(39)40)23(42)35-17(24(43)44)3-2-10-31-25(28)29/h4-7,11,16-17H,2-3,8-10,12H2,1H3,(H,34,41)(H,35,42)(H,39,40)(H,43,44)(H4,28,29,31)(H4,27,30,32,36,37)/t16-,17+/m1/s1
• InChIKey: JXNOYJVKQNZUFW-SJORKVTESA-N

Properties

• Density: 1.614g/cm³ (Cal.)