Demethylblasticidin S
[CAS# 63257-29-4]

Identification

• Name: Demethylblasticidin S
• Synonyms: (2S,3S,6R)-3-[[(3S)-3-Amino-5-Guanidino-Pentanoyl]Amino]-6-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid; (2S,3S,6R)-3-[[(3S)-3-Amino-5-Guanidino-1-Oxopentyl]Amino]-6-(4-Amino-2-Oxo-1-Pyrimidinyl)-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid; (2S,3S,6R)-3-[[(3S)-3-Amino-5-Guanidino-Pentanoyl]Amino]-6-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid
• Molecular Formula: C₁₆H₂₄N₈O₅
• Molecular Weight: 408.42
• CAS Registry Number: 63257-29-4
• SMILES: [C@@H]2(NC(=O)C[C@@H](N)CCN=C(N)N)[C@H](O[C@@H](N1C=CC(=NC1=O)N)C=C2)C(O)=O
• InChI: 1S/C16H24N8O5/c17-8(3-5-21-15(19)20)7-11(25)22-9-1-2-12(29-13(9)14(26)27)24-6-4-10(18)23-16(24)28/h1-2,4,6,8-9,12-13H,3,5,7,17H2,(H,22,25)(H,26,27)(H2,18,23,28)(H4,19,20,21)/t8-,9-,12+,13-/m0/s1
• InChIKey: OJVBAQZCFZMOBW-NGERZBJRSA-N

Properties

• Density: 1.697g/cm³ (Cal.)