N-[N-[1-[N-[N-[1-[N-[N-[1-(N-Acetyl-N-methyl-L-valyl)-trans-4-methyl-L-prolyl]-N-methyl-L-threonyl]-L-leucyl]-trans-4-methyl-L-prolyl]-L-leucyl]-N-methyl-L-valyl]-L-prolyl]-N-methyl-D-leucyl]glycine-lactone
[CAS# 26034-16-2]

Identification

• Name: N-[N-[1-[N-[N-[1-[N-[N-[1-(N-Acetyl-N-methyl-L-valyl)-trans-4-methyl-L-prolyl]-N-methyl-L-threonyl]-L-leucyl]-trans-4-methyl-L-prolyl]-L-leucyl]-N-methyl-L-valyl]-L-prolyl]-N-methyl-D-leucyl]glycine-lactone
• Synonyms: Grisellimycin; Grisellimycin B; Grizelimycin
• Molecular Formula: C₅₇H₉₆N₁₀O₁₂
• Molecular Weight: 1113.45
• CAS Registry Number: 26034-16-2
• SMILES: [C@H]24N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)C1N(C(=O)[C@@H](N(C(=O)C)C)C(C)C)C[C@@H](C1)C)C)[C@H](OC(=O)CNC(=O)[C@H](N(C(=O)[C@H]3N(C(=O)[C@H](N(C(=O)[C@@H](NC2=O)C(CC)C)C)C(C)C)CCC3)C)C(CC)C)C)C(CC)C)C[C@@H](C4)C
• InChI: 1S/C57H96N10O12/c1-19-34(10)43-54(75)62(16)46(31(6)7)56(77)65-24-22-23-39(65)52(73)63(17)47(36(12)21-3)50(71)58-27-42(69)79-37(13)48(51(72)60-44(35(11)20-2)55(76)66-28-32(8)25-40(66)49(70)59-43)64(18)53(74)41-26-33(9)29-67(41)57(78)45(30(4)5)61(15)38(14)68/h30-37,39-41,43-48H,19-29H2,1-18H3,(H,58,71)(H,59,70)(H,60,72)/t32-,33-,34?,35?,36?,37-,39+,40-,41?,43+,44+,45+,46-,47-,48+/m1/s1
• InChIKey: BVCBJSHZCAWDPE-RENOUVQNSA-N

Properties

• Density: 1.209g/cm³ (Cal.)
• Boiling point: 1245.035°C at 760 mmHg (Cal.)
• Flash point: 706.772°C (Cal.)