Mulundocandin
[CAS# 108351-20-8]

Identification

• Name: Mulundocandin
• Synonyms: Aids096174; Mulundocandin
• Molecular Formula: C₄₉H₇₈N₈O₁₇
• Molecular Weight: 1051.20
• CAS Registry Number: 108351-20-8
• SMILES: [C@H]1([C@H](O)C3N(C1)C(=O)C(NC(=O)C(NC(=O)NC(=O)[C@H]2N(C[C@H](O)C2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCC(CC)C)C[C@@H](O)[C@@H](O)NC3=O)[C@H](O)C)[C@H](O)C(O)C4=CC=C(O)C=C4)CO)C
• InChI: 1S/C49H78N8O17/c1-5-25(2)14-12-10-8-6-7-9-11-13-15-35(63)50-31-21-34(62)44(69)54-46(71)38-39(64)26(3)22-57(38)47(72)32(24-58)51-45(70)37(41(66)40(65)28-16-18-29(60)19-17-28)53-49(74)55-43(68)33-20-30(61)23-56(33)48(73)36(27(4)59)52-42(31)67/h16-19,25-27,30-34,36-41,44,58-62,64-66,69H,5-15,20-24H2,1-4H3,(H,50,63)(H,51,70)(H,52,67)(H,54,71)(H2,53,55,68,74)/t25?,26-,27+,30+,31-,32?,33-,34+,36-,37?,38?,39-,40?,41-,44+/m0/s1
• InChIKey: UXIRFQPBPZYIBV-QQTLFGACSA-N

Properties

• Density: 1.416g/cm³ (Cal.)