L-Methionyl-L-Glutaminyl-L-Methionyl-L-Lysyl-L-Lysyl-L-Valyl-L-Leucyl-L-alpha-Aspartyl-L-Serine
[CAS# 118850-71-8]

Identification

• Name: L-Methionyl-L-Glutaminyl-L-Methionyl-L-Lysyl-L-Lysyl-L-Valyl-L-Leucyl-L-alpha-Aspartyl-L-Serine
• Synonyms: (3S)-3-[[2-[[(2S)-2-[[6-Amino-2-[[(2S)-6-Amino-2-[[2-[[(2S)-5-Amino-2-[[(2S)-2-Amino-4-Methylsulfanyl-Butanoyl]Amino]-5-Oxo-Pentanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]Hexanoyl]Amino]Hexanoyl]Amino]-3-Methyl-Butanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-4-[[(1S)-2-Hydroxy-1-(Hydroxymethyl)-2-Oxo-Ethyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-[[2-[[(2S)-2-[[6-Amino-2-[[(2S)-6-Amino-2-[[2-[[(2S)-5-Amino-2-[[(2S)-2-Amino-4-(Methylthio)-1-Oxobutyl]Amino]-1,5-Dioxopentyl]Amino]-4-(Methylthio)-1-Oxobutyl]Amino]-1-Oxohexyl]Amino]-1-Oxohexyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-4-[[(1S)-2-Hydroxy-1-(Hydroxymethyl)-2-Oxoethyl]Amino]-4-Oxobutanoic Acid; (3S)-3-[[2-[[(2S)-2-[[6-Amino-2-[[(2S)-6-Amino-2-[[2-[[(2S)-5-Amino-2-[[(2S)-2-Amino-4-(Methylthio)Butanoyl]Amino]-5-Keto-Pentanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]Hexanoyl]Amino]Hexanoyl]Amino]-3-Methyl-Butanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-4-[[(1S)-2-Hydroxy-2-Keto-1-Methylol-Ethyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₄₅H₈₂N₁₂O₁₄S₂
• Molecular Weight: 1079.33
• CAS Registry Number: 118850-71-8
• SMILES: [C@H](C(N[C@H](C(NC(C(N[C@@H](CCCCN)C(NC(C(N[C@H](C(NC(C(N[C@H](C(N[C@@H](CO)C(=O)O)=O)CC(O)=O)=O)CC(C)C)=O)C(C)C)=O)CCCCN)=O)=O)CCSC)=O)CCC(N)=O)=O)(N)CCSC
• InChI: 1S/C45H82N12O14S2/c1-24(2)21-31(42(67)54-32(22-35(60)61)43(68)56-33(23-58)45(70)71)55-44(69)36(25(3)4)57-41(66)28(12-8-10-18-47)52-38(63)27(11-7-9-17-46)51-40(65)30(16-20-73-6)53-39(64)29(13-14-34(49)59)50-37(62)26(48)15-19-72-5/h24-33,36,58H,7-23,46-48H2,1-6H3,(H2,49,59)(H,50,62)(H,51,65)(H,52,63)(H,53,64)(H,54,67)(H,55,69)(H,56,68)(H,57,66)(H,60,61)(H,70,71)/t26-,27-,28?,29-,30?,31?,32-,33-,36-/m0/s1
• InChIKey: XVZUZGWPOCVGGZ-VYAJKLLMSA-N