Detirelix
[CAS# 89662-30-6]

Identification

• Name: Detirelix
• Synonyms: N-Acetyl-3-(2-Naphtyl)-D-Ala-4-Chloro-D-Phe-D-Trp-L-Ser-L-Tyr-N6-(N,N'-Diethylamidino)-D-Lys-L-Leu-L-Arg-L-Pro-D-Ala-NH2; Detirelix; Detirelex
• Molecular Formula: C₇₈H₁₀₅ClN₁₈O₁₃
• Molecular Weight: 1538.23
• CAS Registry Number: 89662-30-6
• SMILES: CCNC(=NCCCC[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)N)C)CCCNC(=N)N)CC(C)C)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](Cc1ccc(cc1)Cl)NC(=O)[
• InChI: 1S/C78H105ClN18O13/c1-7-83-78(84-8-2)86-34-14-13-21-58(68(102)92-60(37-45(3)4)69(103)91-59(22-15-35-85-77(81)82)76(110)97-36-16-23-66(97)75(109)88-46(5)67(80)101)90-71(105)62(40-49-27-32-55(100)