Methyl (3R,4R)-1-{[(2S)-2-{[(2S)-2-({[(3R,4R)-1-{[(2S)-2-{[(2S)-2-({[(3R,4R)-3,4-dimethoxy-1-{[(2S)-4-methyl-2-{[(2S)-4-methyl-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)pentanoyl]amino}pentanoyl]am ino}cyclopentyl]carbonyl}amino)-4-methylpentanoyl]amino}-4-methylpentanoyl]amino}-3,4-dimethoxycyclopentyl]carbonyl}amino)-4-methylpentanoyl]amino}-4-methylpentanoyl]amino}-3,4-dimethoxycyclopentaneca rboxylate - methanol hydrate (1:1:3)

More details:

• Systematic name

  Methyl (3R,4R)-1-{[(2S)-2-{[(2S)-2-({[(3R,4R)-1-{[(2S)-2-{[(2S)-2-({[(3R,4R)-3,4-dimethoxy-1-{[(2S)-4-methyl-2-{[(2S)-4-methyl-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)pentanoyl]amino}pentanoyl]am ino}cyclopentyl]carbonyl}amino)-4-methylpentanoyl]amino}-4-methylpentanoyl]amino}-3,4-dimethoxycyclopentyl]carbonyl}amino)-4-methylpentanoyl]amino}-4-methylpentanoyl]amino}-3,4-dimethoxycyclopentaneca rboxylate - methanol hydrate (1:1:3)

• SMILES

  CC(C)C[C@@H](C(=O)NC1(C[C@H]([C@@H](C1)OC)OC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC2(C[C@H]([C@@H](C2)OC)OC)C(=O)OC)NC(=O)[C@H](CC(C)C)NC(=O)C3(C[C@H]([C@@H](C3)OC)OC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C.CO.O.O.O

• Std. InChi

  InChI=1S/C66H117N9O18.CH4O.3H2O/c1-35(2)23-41(70-60(83)65(31-49(88-18)50(32-65)89-19)74-57(80)45(27-39(9)10)69-55(78)43(25-37(5)6)72-62(85)93-63(13,14)15)53(76)67-44(26-38(7)8)56(79)73-64(29-47(86-16)48(30-64)87-17)59(82)71-42(24-36(3)4)54(77)68-46(28-40(11)12)58(81)75-66(61(84)92-22)33-51(90-20)52(34-66)91-21;1-2;;;/h35-52H,23-34H2,1-22H3,(H,67,76)(H,68,77)(H,69,78)(H,70,83)(H,71,82)(H,72,85)(H,73,79)(H,74,80)(H,75,81);2H,1H3;3*1H2/t41-,42-,43-,44-,45-,46-,47+,48+,49+,50+,51+,52+;;;;/m0..../s1

• Std. InChIKey

  MCKARCVCBVTNAJ-SHXUZJDXSA-N

• Cite this record

  CSID:30653487, http://www.chemspider.com/Chemical-Structure.30653487.html (accessed 08:00, Apr 18, 2024)