L-alpha-Glutamylglycyl-L-Valyl-L-Tyrosyl-L-Valyl-L-Histidyl-L-Prolyl-L-Valine
[CAS# 121379-63-3]

Identification

• Name: L-alpha-Glutamylglycyl-L-Valyl-L-Tyrosyl-L-Valyl-L-Histidyl-L-Prolyl-L-Valine
• Synonyms: (4S)-4-Amino-5-[[2-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-[(2S)-2-[[(1S)-1-Carboxy-2-Methyl-Propyl]Carbamoyl]Pyrrolidin-1-Yl]-1-(4H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-Amino-5-[[2-[[(1S)-1-[[[(1S)-2-[[(1S)-1-[[[(1S)-2-[(2S)-2-[[[(1S)-1-Carboxy-2-Methylpropyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-1-(4H-Imidazol-4-Ylmethyl)-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (4S)-4-Amino-5-[[2-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-[(2S)-2-[[(1S)-1-Carboxy-2-Methyl-Propyl]Carbamoyl]Pyrrolidin-1-Yl]-1-(4H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₄₂H₆₂N₁₀O₁₂
• Molecular Weight: 899.01
• CAS Registry Number: 121379-63-3
• SMILES: [C@@H]3(N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)C(C)C)CC1=CC=C(O)C=C1)C(C)C)CC2N=CN=C2)CCC3)C(=O)N[C@H](C(=O)O)C(C)C
• InChI: 1S/C42H62N10O12/c1-21(2)33(49-31(54)19-45-36(57)27(43)13-14-32(55)56)39(60)47-28(16-24-9-11-26(53)12-10-24)37(58)50-34(22(3)4)40(61)48-29(17-25-18-44-20-46-25)41(62)52-15-7-8-30(52)38(59)51-35(23(5)6)42(63)64/h9-12,18,20-23,25,27-30,33-35,53H,7-8,13-17,19,43H2,1-6H3,(H,45,57)(H,47,60)(H,48,61)(H,49,54)(H,50,58)(H,51,59)(H,55,56)(H,63,64)/t25?,27-,28-,29-,30-,33-,34-,35-/m0/s1
• InChIKey: IBKGTULCXOYHFE-SEQYDFDVSA-N

Properties

• Density: 1.432g/cm³ (Cal.)