Acetylhistidyl-lysyl-aspartyl-methionyl-glutaminyl-leucyl-glycyl-arginine
[CAS# 133009-93-5]

Identification

• Name: Acetylhistidyl-lysyl-aspartyl-methionyl-glutaminyl-leucyl-glycyl-arginine
• Synonyms: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-6-Amino-Hexanoyl]Amino]-4-Hydroxy-4-Oxo-Butanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]-5-Amino-5-Oxo-Pentanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Acetyl]Amino]-5-Guanidino-Pentanoic Acid; (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]Amino]-6-Amino-1-Oxohexyl]Amino]-4-Hydroxy-1,4-Dioxobutyl]Amino]-4-(Methylthio)-1-Oxobutyl]Amino]-5-Amino-1,5-Dioxopentyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-1-Oxoethyl]Amino]-5-Guanidinopentanoic Acid; (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-6-Amino-Hexanoyl]Amino]-4-Hydroxy-4-Keto-Butanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]-5-Amino-5-Keto-Pentanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Acetyl]Amino]-5-Guanidino-Valeric Acid
• Molecular Formula: C₄₂H₇₁N₁₅O₁₃S
• Molecular Weight: 1026.18
• CAS Registry Number: 133009-93-5
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC1=CN=C[NH]1)CCCCN)CC(O)=O)CCSC)CCC(=O)N)(CC(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(O)=O
• InChI: 1S/C42H71N15O13S/c1-22(2)16-29(35(63)49-20-33(60)52-28(41(69)70)9-7-14-48-42(45)46)56-37(65)26(10-11-32(44)59)54-38(66)27(12-15-71-4)55-40(68)31(18-34(61)62)57-36(64)25(8-5-6-13-43)53-39(67)30(51-23(3)58)17-24-19-47-21-50-24/h19,21-22,25-31H,5-18,20,43H2,1-4H3,(H2,44,59)(H,47,50)(H,49,63)(H,51,58)(H,52,60)(H,53,67)(H,54,66)(H,55,68)(H,56,65)(H,57,64)(H,61,62)(H,69,70)(H4,45,46,48)/t25-,26-,27-,28-,29-,30-,31-/m0/s1
• InChIKey: VUBZVUMJZBGTQL-XIJWKTHWSA-N

Properties

• Density: 1.484g/cm³ (Cal.)