(2S,3S,4S,5R,6R)-6-(4-Amino-2-Oxopyrimidin-1-Yl)-3-[[(2R)-3-(Diaminomethylideneamino)-2-[(2-Methylaminoacetyl)Amino]Propanoyl]Amino]-4,5-Dihydroxyoxane-2-Carboxamide
[CAS# 104840-35-9]

Identification

• Name: (2S,3S,4S,5R,6R)-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)-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)-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)-6-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3-[[(2R)-3-Guanidino-2-(Sarcosylamino)Propanoyl]Amino]-4,5-Dihydroxy-Tetrahydropyran-2-Carboxamide
• Molecular Formula: C₁₇H₂₈N₁₀O₇
• Molecular Weight: 484.47
• CAS Registry Number: 104840-35-9
• 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)N)N2C=CC(=NC2=O)N
• InChI: 1S/C17H28N10O7/c1-22-5-8(28)24-6(4-23-16(20)21)14(32)26-9-10(29)11(30)15(34-12(9)13(19)31)27-3-2-7(18)25-17(27)33/h2-3,6,9-12,15,22,29-30H,4-5H2,1H3,(H2,19,31)(H,24,28)(H,26,32)(H2,18,25,33)(H4,20,21,23)/t6-,9+,10+,11-,12+,15-/m1/s1
• InChIKey: UUOLIDLGSNSWHZ-QJHHURCWSA-N

Properties

• Density: 1.866g/cm³ (Cal.)