Cyclo(Lysyl-Prolyl-Glycyl-Prolyl-Glycyl-Glutamyl-Prolyl-Glycyl-Prolyl-Glycyl)Cyclo(1epsilon-6-gamma)Glycine
[CAS# 117178-64-0]

Identification

• Name: Cyclo(Lysyl-Prolyl-Glycyl-Prolyl-Glycyl-Glutamyl-Prolyl-Glycyl-Prolyl-Glycyl)Cyclo(1epsilon-6-gamma)Glycine
• Synonyms: 2-[[(1S)-4-Amino-1-[(2S)-2-[[2-[(2S)-2-[[2-[[(E,1S)-1-[(2S)-2-[[2-[(2R)-2-(2-Aminoethyl)-2-Formyl-Pyrrolidin-1-Yl]-2-Oxo-Ethyl]Carbamoyl]Pyrrolidine-1-Carbonyl]-5-Imino-Pent-3-Enyl]Amino]-2-Oxo-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Oxo-Ethylidene]Carbamoyl]Pyrrolidine-1-Carbonyl]-4-Oxo-Butyl]Amino]Acetic Acid; 2-[[(1S)-4-Amino-1-[[(2S)-2-[[[2-[(2S)-2-[[[2-[[(E,1S)-1-[[(2S)-2-[[[2-[(2R)-2-(2-Aminoethyl)-2-Formyl-1-Pyrrolidinyl]-2-Oxoethyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-Oxomethyl]-5-Iminopent-3-Enyl]Amino]-2-Oxoethyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-2-Oxoethylidene]Amino]-Oxomethyl]-1-Pyrrolidinyl]-Oxomethyl]-4-Oxobutyl]Amino]Acetic Acid; 2-[[(1S)-4-Amino-1-[(2S)-2-[[2-[(2S)-2-[[2-[[(E,1S)-1-[(2S)-2-[[2-[(2R)-2-(2-Aminoethyl)-2-Formyl-Pyrrolidin-1-Yl]-2-Keto-Ethyl]Carbamoyl]Pyrrolidine-1-Carbonyl]-5-Imino-Pent-3-Enyl]Amino]-2-Keto-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Keto-Ethylidene]Carbamoyl]Pyrrolidine-1-Carbonyl]-4-Keto-Butyl]Amino]Acetic Acid
• Molecular Formula: C₄₁H₆₀N₁₂O₁₂
• Molecular Weight: 913.00
• CAS Registry Number: 117178-64-0
• SMILES: [C@@]4(N(C(=O)CNC(=O)[C@H]3N(C(=O)[C@@H](NC(=O)CNC(=O)[C@H]2N(C(=O)C=NC(=O)[C@H]1N(C(=O)[C@@H](NCC(=O)O)CCC(=O)N)CCC1)CCC2)C\C=C\C=N)CCC3)CCC4)(CCN)C=O
• InChI: 1S/C41H60N12O12/c42-15-2-1-7-27(40(65)52-19-5-10-30(52)38(63)48-23-34(58)53-20-6-13-41(53,25-54)14-16-43)49-32(56)21-46-36(61)28-8-3-17-50(28)33(57)22-47-37(62)29-9-4-18-51(29)39(64)26(11-12-31(44)55)45-24-35(59)60/h1-2,15,22,25-30,42,45H,3-14,16-21,23-24,43H2,(H2,44,55)(H,46,61)(H,48,63)(H,49,56)(H,59,60)/b2-1+,42-15?,47-22?/t26-,27-,28-,29-,30-,41+/m0/s1
• InChIKey: OTGZZDDHNFTAOV-BBMKWWLZSA-N