5-L-Phenylalanine-Luteinizing Hormone-Releasing Factor (Swine) Acetate (Salt) Hydrate
[CAS# 52699-48-6]

Identification

• Name: 5-L-Phenylalanine-Luteinizing Hormone-Releasing Factor (Swine) Acetate (Salt) Hydrate
• Synonyms: Acetic Acid; N-[2-[[2-[[2-[[2-[[2-[[1-[[1-[2-[(2-Amino-2-Oxo-Ethyl)Carbamoyl]Pyrrolidine-1-Carbonyl]-4-Guanidino-Butyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Oxo-Ethyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Amino]-1-(Hydroxymethyl)-2-Oxo-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]-5-Oxo-Pyrrolidine-2-Carboxamide; Hydrate; Acetic Acid; N-[2-[[2-[[2-[[2-[[2-[[1-[[[1-[[2-[[(2-Amino-2-Oxoethyl)Amino]-Oxomethyl]-1-Pyrrolidinyl]-Oxomethyl]-4-Guanidinobutyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-2-Oxoethyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-1-(Hydroxymethyl)-2-Oxoethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]-5-Oxo-2-Pyrrolidinecarboxamide; Hydrate
• Molecular Formula: C₅₇H₈₁N₁₇O₁₆
• Molecular Weight: 1260.37
• CAS Registry Number: 52699-48-6
• SMILES: C6=C(CC(NC(=O)C(NC(=O)C1NC(=O)CC1)CC2=CN=C[NH]2)C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N3C(CCC3)C(=O)NCC(=O)N)CCCN=C(N)N)CC(C)C)CC4=CC=C(O)C=C4)CO)C5=CC=CC=C5[NH]6.CC(O)=O.O
• InChI: 1S/C55H75N17O13.C2H4O2.H2O/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36;1-2(3)4;/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60);1H3,(H,3,4);1H2
• InChIKey: OOBWZCWPKJOGPF-UHFFFAOYSA-N