Azaline A
[CAS# 134457-26-4]

Identification

• Name: Azaline A
• Synonyms: Azaline A; D-Alaninamide, N-Acetyl-3-(2-Naphthalenyl)-D-Alanyl-4-Chloro-D-Phenylalanyl-3-(3-Pyridinyl)-D-Alanyl-L-Seryl-N6-(5-Amino-1H-1,2,4-Triazol-3-Yl)-L-Lysyl-N6-(5-Amino-1H-A,2,4-Triazol-3-Yl)-D-Lysyl-L-Leucyl-N6-(1-Methylethyl)-L-Lysyl-L-Prolyl-; Gnrh, Ac-Nal(1)-Cpa(2)-Pal(3)-Lys(5,6)-Ilys(8)-Ala(10)-
• Molecular Formula: C₇₄H₁₀₆ClN₂₃O₁₂
• Molecular Weight: 1545.25
• CAS Registry Number: 134457-26-4
• SMILES: [C@](C(=O)N(C([C@@H](NC([C@H](N)CCCCNC1=N[NH]C(=N1)N)=O)CC(C)C)=O)C([C@@H](N)CCCCNC2=N[NH]C(=N2)N)=O)(N(C([C@H]3N(CCC3)C([C@@H](N)CCCCNC(C)C)=O)=O)C([C@@H](NC([C@H](N)CC4=CC=CN=C4)=O)CO)=O)(CC([C@H](NC(=O)C)CC6=CC=C5C=CC=CC5=C6)=O)C([C@H](N)CC7=CC=C(C=C7)Cl)=O
• InChI: 1S/C74H106ClN23O12/c1-42(2)34-57(88-62(103)51(76)19-8-12-31-85-72-90-70(81)92-94-72)66(107)97(65(106)53(78)21-10-13-32-86-73-91-71(82)93-95-73)69(110)74(61(102)54(79)36-45-24-27-50(75)28-25-45,39-60(101)56(87-44(5)100)38-46-23-26-48-17-6-7-18-49(48)35-46)98(67(108)58(41-99)89-63(104)55(80)37-47-16-14-29-83-40-47)68(109)59-22-15-33-96(59)64(105)52(77)20-9-11-30-84-43(3)4/h6-7,14,16-18,23-29,35,40,42-43,51-59,84,99H,8-13,15,19-22,30-34,36-39,41,76-80H2,1-5H3,(H,87,100)(H,88,103)(H,89,104)(H4,81,85,90,92,94)(H4,82,86,91,93,95)/t51-,52+,53+,54-,55-,56-,57+,58+,59+,74+/m1/s1
• InChIKey: XHCGTVHIQUXPRM-SSIREWOPSA-N

Properties

• Density: 1.348g/cm³ (Cal.)