4-Desulfo-Caerulein
[CAS# 20994-83-6]

Identification

• Name: 4-Desulfo-Caerulein
• Synonyms: 5-Oxo-L-Pro-L-Gln-L-Asp-L-Tyr-L-Thr-Gly-L-Trp-L-Met-L-Asp-L-Phe-NH2; Pglu-Gln-Αasp-Tyr-Thr-Gly-Trp-Met-Αasp-Phe-NH2; PYR-GLN-ASP-TYR-THR-GLY-TRP-MET-ASP-PHE-NH2
• Molecular Formula: C₅₈H₇₃N₁₃O₁₈S
• Molecular Weight: 1272.34
• CAS Registry Number: 20994-83-6
• EINECS: 244-142-3
• 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]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CCC(=O)N)CC(=O)O)Cc
• InChI: 1S/C58H73N13O18S/c1-29(72)49(71-57(88)40(23-31-12-14-33(73)15-13-31)68-56(87)43(26-48(79)80)69-52(83)37(16-18-44(59)74)65-51(82)36-17-19-45(75)63-36)58(89)62-28-46(76)64-41(24-32-27-61-35-11-7-6