Antrimycin
[CAS# 80801-26-9]

Identification

• Name: Antrimycin
• Synonyms: (2S)-2-[[(E)-2-[[(2S)-2-[[(3S)-2-[(2S,3S)-3-Amino-2-[[(2S)-2-[[2-Amino-3-Hydroxy-2-(Hydroxymethyl)Propanoyl]Amino]Propanoyl]Amino]Butanoyl]4,5-Dihydro-3H-Pyridazine-3-Carbonyl]Amino]Propanoyl]Amino]-3-Methyl-Pent-2-Enoyl]Amino]-3-Hydroxy-Propanoic Acid; (2S)-2-[[(E)-2-[[(2S)-2-[[[(3S)-2-[(2S,3S)-3-Amino-2-[[(2S)-2-[[2-Amino-3-Hydroxy-2-(Hydroxymethyl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-1-Oxobutyl]-4,5-Dihydro-3H-Pyridazin-3-Yl]-Oxomethyl]Amino]-1-Oxopropyl]Amino]-3-Methyl-1-Oxopent-2-Enyl]Amino]-3-Hydroxypropanoic Acid; (2S)-2-[[(E)-2-[[(2S)-2-[[(3S)-2-[(2S,3S)-3-Amino-2-[[(2S)-2-[(2-Amino-3-Hydroxy-2-Methylol-Propanoyl)Amino]Propanoyl]Amino]Butanoyl]4,5-Dihydro-3H-Pyridazine-3-Carbonyl]Amino]Propanoyl]Amino]-3-Methyl-Pent-2-Enoyl]Amino]-3-Hydroxy-Propionic Acid
• Molecular Formula: C₂₈H₄₇N₉O₁₁
• Molecular Weight: 685.73
• CAS Registry Number: 80801-26-9
• SMILES: [C@H](C(N1[C@H](C(N[C@H](C(NC(/C(N[C@H](C(=O)O)CO)=O)=C(/CC)C)=O)C)=O)CCC=N1)=O)(NC([C@@H](NC(C(N)(CO)CO)=O)C)=O)[C@@H](N)C
• InChI: 1S/C28H47N9O11/c1-6-13(2)19(24(44)34-17(10-38)26(46)47)35-21(41)15(4)32-23(43)18-8-7-9-31-37(18)25(45)20(14(3)29)36-22(42)16(5)33-27(48)28(30,11-39)12-40/h9,14-18,20,38-40H,6-8,10-12,29-30H2,1-5H3,(H,32,43)(H,33,48)(H,34,44)(H,35,41)(H,36,42)(H,46,47)/b19-13+/t14-,15-,16-,17-,18-,20-/m0/s1
• InChIKey: JIGYSKMCUNIKPN-KYVSZOTASA-N

Properties

• Density: 1.5g/cm³ (Cal.)