Cyclo(glutamyl-leucyl-prolyl-glycyl-seryl-isoleucyl-prolyl-alanyl)cyclo((1-5)phenylalanyl-glycine)
[CAS# 123218-79-1]

Identification

• Name: Cyclo(glutamyl-leucyl-prolyl-glycyl-seryl-isoleucyl-prolyl-alanyl)cyclo((1-5)phenylalanyl-glycine)
• Synonyms: (4S)-5-[[(1S)-1-[(2S)-2-[[2-[(2R)-1-[(2S,3S)-2-[[(2S)-2-Amino-3-[2-[[(2S)-2-Amino-3-Phenyl-Propanoyl]Amino]Acetyl]Oxy-Propanoyl]Amino]-3-Methyl-Pent-4-Enoyl]-2-Methyl-3H-Pyrrol-2-Yl]-2-Oxo-Ethyl]Carbamoyl]2,5-Dihydropyrrole-1-Carbonyl]-3-Methyl-Butyl]Amino]-4-[[(2S)-2-Aminopropanoyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-5-[[(1S)-1-[[(2S)-2-[[[2-[(2R)-1-[(2S,3S)-2-[[(2S)-2-Amino-3-[2-[[(2S)-2-Amino-1-Oxo-3-Phenylpropyl]Amino]-1-Oxoethoxy]-1-Oxopropyl]Amino]-3-Methyl-1-Oxopent-4-Enyl]-2-Methyl-3H-Pyrrol-2-Yl]-2-Oxoethyl]Amino]-Oxomethyl]-2,5-Dihydropyrrol-1-Yl]-Oxomethyl]-3-Methylbutyl]Amino]-4-[[(2S)-2-Amino-1-Oxopropyl]Amino]-5-Oxopentanoic Acid; (4S)-4-(Alanylamino)-5-[[(1S)-1-[(2S)-2-[[2-[(2R)-1-[(2S,3S)-2-[[(2S)-2-Amino-3-[2-[[(2S)-2-Amino-3-Phenyl-Propanoyl]Amino]Acetyl]Oxy-Propanoyl]Amino]-3-Methyl-Pent-4-Enoyl]-2-Methyl-2-Pyrrolin-2-Yl]-2-Keto-Ethyl]Carbamoyl]3-Pyrroline-1-Carbonyl]-3-Methyl-Butyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₄₆H₆₆N₁₀O₁₂
• Molecular Weight: 951.09
• CAS Registry Number: 123218-79-1
• SMILES: [C@@]1(C)(N(C=CC1)C([C@@H](NC([C@@H](N)COC(CNC([C@@H](N)CC2=CC=CC=C2)=O)=O)=O)[C@H](C=C)C)=O)C(CNC([C@H]3N(CC=C3)C([C@@H](NC([C@@H](NC([C@@H](N)C)=O)CCC(=O)O)=O)CC(C)C)=O)=O)=O
• InChI: 1S/C46H66N10O12/c1-7-27(4)38(54-41(63)31(49)25-68-37(60)24-51-40(62)30(48)22-29-13-9-8-10-14-29)45(67)56-20-12-18-46(56,6)35(57)23-50-43(65)34-15-11-19-55(34)44(66)33(21-26(2)3)53-42(64)32(16-17-36(58)59)52-39(61)28(5)47/h7-15,20,26-28,30-34,38H,1,16-19,21-25,47-49H2,2-6H3,(H,50,65)(H,51,62)(H,52,61)(H,53,64)(H,54,63)(H,58,59)/t27-,28-,30-,31-,32-,33-,34-,38-,46+/m0/s1
• InChIKey: LCYJUDYIENTEHZ-BWRLKWQZSA-N