1-acetyl-3,4-didehydro-L-prolyl-4-chloro-D-phenylalanyl-D-tryptophyl-L-seryl-L-tyrosyl-D-tryptophyl-N-methyl-L-leucyl-L-arginyl-L-prolyl-Glycinamide
[CAS# 74611-71-5]

Identification

• Name: 1-acetyl-3,4-didehydro-L-prolyl-4-chloro-D-phenylalanyl-D-tryptophyl-L-seryl-L-tyrosyl-D-tryptophyl-N-methyl-L-leucyl-L-arginyl-L-prolyl-Glycinamide
• Synonyms: (Acetyl-Dehydro-1-Prolyl-P-Cl-Phenylalanyl-3,6-Tryptophyl)-N-(Alpha)-Methyl-7-Leucine-Gnrh; Apptl-Gnrh; Gnrh, (Ac-Dehydro-Pro(1)-4-Cl-Phe(2)-Trp(3,6))-N-(Alpha)-Meleu(7)-
• Molecular Formula: C₇₀H₈₇ClN₁₆O₁₃
• Molecular Weight: 1396.01
• CAS Registry Number: 74611-71-5
• SMILES: [C@@H](C(N[C@H](C(N1[C@@H](CCC1)C(=O)NCC(=O)N)=O)CCCNC(N)=N)=O)(CC(C)C)N(C([C@@H](CC2=C[NH]C3=C2C=CC=C3)NC([C@@H](NC([C@@H](NC([C@@H](CC4=C[NH]C5=C4C=CC=C5)NC([C@H](NC([C@H]6N(CC=C6)C(C)=O)=O)CC7=CC=C(C=C7)Cl)=O)=O)CO)=O)CC8=CC=C(C=C8)O)=O)=O)C
• InChI: 1S/C70H87ClN16O13/c1-39(2)30-59(67(98)79-51(16-9-27-75-70(73)74)69(100)87-29-11-17-57(87)65(96)78-37-60(72)91)85(4)68(99)55(34-44-36-77-50-15-8-6-13-48(44)50)83-62(93)52(32-42-21-25-46(90)26-22-42)80-64(95)56(38-88)84-63(94)54(33-43-35-76-49-14-7-5-12-47(43)49)81-61(92)53(31-41-19-23-45(71)24-20-41)82-66(97)58-18-10-28-86(58)40(3)89/h5-8,10,12-15,18-26,35-36,39,51-59,76-77,88,90H,9,11,16-17,27-34,37-38H2,1-4H3,(H2,72,91)(H,78,96)(H,79,98)(H,80,95)(H,81,92)(H,82,97)(H,83,93)(H,84,94)(H4,73,74,75)/t51-,52-,53+,54+,55+,56-,57-,58-,59-/m0/s1
• InChIKey: IAIQAABWXYYEFZ-FNLUPMSMSA-N

Properties

• Density: 1.44g/cm³ (Cal.)