L-Lysylglycyl-L-isoleucyl-L-leucylglycyl-L-lysyl-L-valyl-L-phenylalanyl-L-threonyl-L-leucyl-L-threonyl-L-Valine
[CAS# 119425-35-3]

Identification

• Name: L-Lysylglycyl-L-isoleucyl-L-leucylglycyl-L-lysyl-L-valyl-L-phenylalanyl-L-threonyl-L-leucyl-L-threonyl-L-Valine
• Synonyms: (2S)-2-[[(2S,3R)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2,6-Diaminohexanoyl]Amino]Acetyl]Amino]-3-Methyl-Pentanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Acetyl]Amino]Hexanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-3-Methyl-Butanoic Acid; (2S)-2-[[(2S,3R)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2,6-Diamino-1-Oxohexyl]Amino]-1-Oxoethyl]Amino]-3-Methyl-1-Oxopentyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-1-Oxoethyl]Amino]-1-Oxohexyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-3-Methylbutanoic Acid; (2S)-2-[[(2S,3R)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2,6-Diaminohexanoyl]Amino]Acetyl]Amino]-3-Methyl-Pentanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Acetyl]Amino]Hexanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-3-Methyl-Butyric Acid
• Molecular Formula: C₆₁H₁₀₆N₁₄O₁₅
• Molecular Weight: 1275.59
• CAS Registry Number: 119425-35-3
• SMILES: [C@@H](C(C)C)(NC(=O)[C@H]([C@@H](C)O)NC(=O)C(CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC([C@@H](NC(=O)CNC([C@H](CC(C)C)NC([C@@H](NC(CNC([C@@H](N)CCCCN)=O)=O)[C@H](CC)C)=O)=O)CCCCN)=O)CC1=CC=CC=C1)C(=O)O
• InChI: 1S/C61H106N14O15/c1-13-36(10)49(71-46(79)31-65-52(80)40(64)23-17-19-25-62)58(86)68-42(27-32(2)3)53(81)66-30-45(78)67-41(24-18-20-26-63)54(82)72-47(34(6)7)57(85)70-44(29-39-21-15-14-16-22-39)56(84)74-50(37(11)76)59(87)69-43(28-33(4)5)55(83)75-51(38(12)77)60(88)73-48(35(8)9)61(89)90/h14-16,21-22,32-38,40-44,47-51,76-77H,13,17-20,23-31,62-64H2,1-12H3,(H,65,80)(H,66,81)(H,67,78)(H,68,86)(H,69,87)(H,70,85)(H,71,79)(H,72,82)(H,73,88)(H,74,84)(H,75,83)(H,89,90)/t36-,37+,38+,40-,41-,42-,43?,44-,47-,48-,49-,50-,51-/m0/s1
• InChIKey: NBOKFONQQZRHRY-LLRUCICQSA-N