1-De(5-Oxo-L-Proline)-2-De-L-Glutamine-3-De-L-Asparticacid-4-De-L-Tyrosine-5-[N-[(1,1-Dimethylethoxy)Carbonyl]-L-Methionine]-Caerulein
[CAS# 23446-11-9]

Identification

• Name: 1-De(5-Oxo-L-Proline)-2-De-L-Glutamine-3-De-L-Asparticacid-4-De-L-Tyrosine-5-[N-[(1,1-Dimethylethoxy)Carbonyl]-L-Methionine]-Caerulein
• Molecular Formula: C₄₁H₅₆N₈O₁₀S₂
• Molecular Weight: 885.06
• CAS Registry Number: 23446-11-9
• SMILES: CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)CCSC
• InChI: 1S/C41H56N8O10S2/c1-41(2,3)59-40(58)49-28(15-17-60-4)36(54)44-23-33(50)45-31(20-25-22-43-27-14-10-9-13-26(25)27)38(56)46-29(16-18-61-5)37(55)48-32(21-34(51)52)39(57)47-30(35(42)53)19-24-11-7-6-8