13',19'-Didehydro-19'-Deoxy-28,44-Dihydro-44-Hydroxymicrococcin P
[CAS# 67401-56-3]

Identification

• Name: 13',19'-Didehydro-19'-Deoxy-28,44-Dihydro-44-Hydroxymicrococcin P
• Synonyms: C12051; Micrococcin; Micrococcin P1
• Molecular Formula: C₄₈H₄₉N₁₃O₉S₆
• Molecular Weight: 1144.36
• CAS Registry Number: 67401-56-3
• SMILES: [C@@H]7(NC(=O)C1=CSC(=N1)\C(NC(=O)[C@@H](NC(=O)C2=CSC(=N2)C3=C(N=C(C=C3)C4=NC(=CS4)C5=NC(=CS5)C(=O)NC(/C(=O)NC[C@@H](O)C)=C\C)C6=CSC(=N6)[C@@H](NC(=O)C8=CSC7=N8)[C@H](O)C)[C@H](O)C)=C\C)C(C)C
• InChI: 1S/C48H49N13O9S6/c1-8-24(37(65)49-12-20(5)62)51-38(66)28-15-73-46(56-28)32-18-74-45(58-32)26-11-10-23-36(50-26)27-13-75-48(53-27)35(22(7)64)61-41(69)31-17-76-47(57-31)33(19(3)4)59-39(67)30-16-72-44(55-30)25(9-2)52-42(70)34(21(6)63)60-40(68)29-14-71-43(23)54-29/h8-11,13-22,33-35,62-64H,12H2,1-7H3,(H,49,65)(H,51,66)(H,52,70)(H,59,67)(H,60,68)(H,61,69)/b24-8-,25-9-/t20-,21+,22+,33+,34-,35-/m0/s1
• InChIKey: MQGFYNRGFWXAKA-GXSYYHJRSA-N

Properties

• Density: 1.428g/cm³ (Cal.)