Leucinostatin D
[CAS# 108426-90-0]

Identification

• Name: Leucinostatin D
• Synonyms: (2S,4S)-N-[(1S)-1-[[(2R)-1-[[2-[[1-[[(1S)-1-[[2-[[2-[[3-[[(1S)-2-Dimethylamino-1-Methyl-Ethyl]Amino]-3-Oxo-Propyl]Amino]-1,1-Dimethyl-2-Oxo-Ethyl]Amino]-1,1-Dimethyl-2-Oxo-Ethyl]Carbamoyl]-3-Methyl-Butyl]Carbamoyl]-3-Methyl-Butyl]Amino]-1,1-Dimethyl-2-Oxo-Ethyl]Carbamoyl]-2-Hydroxy-3-Methyl-Butyl]Carbamoyl]-3-Methyl-Butyl]-4-Methyl-1-[(E,4R)-4-Methylhex-2-Enoyl]Pyrrolidine-2-Carboxamide; (2S,4S)-N-[(1S)-1-[[[(2R)-1-[[[2-[[1-[[[(1S)-1-[[[2-[[2-[[3-[[(1S)-2-Dimethylamino-1-Methylethyl]Amino]-3-Oxopropyl]Amino]-1,1-Dimethyl-2-Oxoethyl]Amino]-1,1-Dimethyl-2-Oxoethyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-1,1-Dimethyl-2-Oxoethyl]Amino]-Oxomethyl]-2-Hydroxy-3-Methylbutyl]Amino]-Oxomethyl]-3-Methylbutyl]-4-Methyl-1-[(E,4R)-4-Methyl-1-Oxohex-2-Enyl]-2-Pyrrolidinecarboxamide; (2S,4S)-N-[(1S)-1-[[(2R)-1-[[2-[[1-[[(1S)-1-[[2-[[2-[[3-[[(1S)-2-Dimethylamino-1-Methyl-Ethyl]Amino]-3-Keto-Propyl]Amino]-2-Keto-1,1-Dimethyl-Ethyl]Amino]-2-Keto-1,1-Dimethyl-Ethyl]Carbamoyl]-3-Methyl-Butyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Keto-1,1-Dimethyl-Ethyl]Carbamoyl]-2-Hydroxy-3-Methyl-Butyl]Carbamoyl]-3-Methyl-Butyl]-4-Methyl-1-[(E,4R)-4-Methylhex-2-Enoyl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₅₇H₁₀₃N₁₁O₁₁
• Molecular Weight: 1118.51
• CAS Registry Number: 108426-90-0
• SMILES: [C@@H]1(C[C@H](N(C1)C(=O)\C=C\[C@@H](CC)C)C(=O)N[C@@H](CC(C)C)C(=O)NC([C@H](O)C(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@H](CN(C)C)C)(C)C)(C)C)C
• InChI: 1S/C57H103N11O11/c1-21-36(10)22-23-44(70)68-30-37(11)29-42(68)50(75)61-39(26-32(2)3)48(73)63-45(46(71)35(8)9)51(76)65-56(15,16)53(78)62-40(27-33(4)5)47(72)60-41(28-34(6)7)49(74)64-57(17,18)54(79)66-55(13,14)52(77)58-25-24-43(69)59-38(12)31-67(19)20/h22-23,32-42,45-46,71H,21,24-31H2,1-20H3,(H,58,77)(H,59,69)(H,60,72)(H,61,75)(H,62,78)(H,63,73)(H,64,74)(H,65,76)(H,66,79)/b23-22+/t36-,37+,38+,39+,40?,41+,42+,45?,46-/m1/s1
• InChIKey: DKUCXVPLIVXVFM-HNUJDZJCSA-N

Properties

• Density: 1.104g/cm³ (Cal.)
• Boiling point: 1315.044°C at 760 mmHg (Cal.)
• Flash point: 749.112°C (Cal.)