(2S,3S,4S,5R,6R)-N-[3-(4-Aminobutylamino)Propyl]-6-(4-Amino-2-Oxopyrimidin-1-Yl)-3-[[(2R)-3-(Diaminomethylideneamino)-2-[(2-Methylaminoacetyl)Amino]Propanoyl]Amino]-4,5-Dihydroxyoxane-2-Carboxamide
[CAS# 104840-34-8]

Identification

• Name: (2S,3S,4S,5R,6R)-N-[3-(4-Aminobutylamino)Propyl]-6-(4-Amino-2-Oxopyrimidin-1-Yl)-3-[[(2R)-3-(Diaminomethylideneamino)-2-[(2-Methylaminoacetyl)Amino]Propanoyl]Amino]-4,5-Dihydroxyoxane-2-Carboxamide
• Synonyms: (2S,3S,4S,5R,6R)-N-[3-(4-Aminobutylamino)Propyl]-6-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3-[[(2R)-3-Guanidino-2-[(2-Methylaminoacetyl)Amino]Propanoyl]Amino]-4,5-Dihydroxy-Tetrahydropyran-2-Carboxamide; (2S,3S,4S,5R,6R)-N-[3-(4-Aminobutylamino)Propyl]-6-(4-Amino-2-Oxo-1-Pyrimidinyl)-3-[[(2R)-3-Guanidino-2-[(2-Methylamino-1-Oxoethyl)Amino]-1-Oxopropyl]Amino]-4,5-Dihydroxy-2-Tetrahydropyrancarboxamide; (2S,3S,4S,5R,6R)-N-[3-(4-Aminobutylamino)Propyl]-6-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3-[[(2R)-3-Guanidino-2-(Sarcosylamino)Propanoyl]Amino]-4,5-Dihydroxy-Tetrahydropyran-2-Carboxamide
• Molecular Formula: C₂₄H₄₄N₁₂O₇
• Molecular Weight: 612.69
• CAS Registry Number: 104840-34-8
• SMILES: [C@H]1(NC(=O)[C@H](NC(=O)CNC)CN=C(N)N)[C@H](O)[C@@H](O)[C@@H](O[C@@H]1C(=O)NCCCNCCCCN)N2C=CC(=NC2=O)N
• InChI: 1S/C24H44N12O7/c1-29-12-15(37)33-13(11-32-23(27)28)20(40)35-16-17(38)18(39)22(36-10-5-14(26)34-24(36)42)43-19(16)21(41)31-9-4-8-30-7-3-2-6-25/h5,10,13,16-19,22,29-30,38-39H,2-4,6-9,11-12,25H2,1H3,(H,31,41)(H,33,37)(H,35,40)(H2,26,34,42)(H4,27,28,32)/t13-,16+,17+,18-,19+,22-/m1/s1
• InChIKey: LCASODQCASDDLN-WEYBRJQASA-N

Properties

• Density: 1.607g/cm³ (Cal.)