Des-Tyr(5)-Lhrh
[CAS# 52186-43-3]

Identification

• Name: Des-Tyr(5)-Lhrh
• Synonyms: (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[(1S)-1-[(2S)-2-[(2-Amino-2-Oxo-Ethyl)Carbamoyl]Pyrrolidine-1-Carbonyl]-4-Guanidino-Butyl]Carbamoyl]-3-Methyl-Butyl]Amino]-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; (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[[(1S)-1-[[(2S)-2-[[(2-Amino-2-Oxoethyl)Amino]-Oxomethyl]-1-Pyrrolidinyl]-Oxomethyl]-4-Guanidinobutyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-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; (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[(1S)-1-[(2S)-2-[(2-Amino-2-Keto-Ethyl)Carbamoyl]Pyrrolidine-1-Carbonyl]-4-Guanidino-Butyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-1-Methylol-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]-5-Keto-Pyrrolidine-2-Carboxamide
• Molecular Formula: C₄₆H₆₆N₁₆O₁₁
• Molecular Weight: 1019.13
• CAS Registry Number: 52186-43-3
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2NC(=O)CC2)CC3=CN=C[NH]3)CC4=C[NH]C5=CC=CC=C45)CO)CC(C)C)CCCN=C(N)N)C(=O)NCC(=O)N
• InChI: 1S/C46H66N16O11/c1-24(2)15-31(41(69)58-30(9-5-13-51-46(48)49)45(73)62-14-6-10-35(62)44(72)53-20-36(47)64)57-38(66)21-54-39(67)34(22-63)61-42(70)32(16-25-18-52-28-8-4-3-7-27(25)28)59-43(71)33(17-26-19-50-23-55-26)60-40(68)29-11-12-37(65)56-29/h3-4,7-8,18-19,23-24,29-35,52,63H,5-6,9-17,20-22H2,1-2H3,(H2,47,64)(H,50,55)(H,53,72)(H,54,67)(H,56,65)(H,57,66)(H,58,69)(H,59,71)(H,60,68)(H,61,70)(H4,48,49,51)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
• InChIKey: AGYABMCVNGSDOG-POFDKVPJSA-N

Properties

• Density: 1.561g/cm³ (Cal.)