t-Butyloxycarbonyl-cyclo(cysteinyl-t-butylseryl-asparaginyl-leucyl-t-butylseryl-t-butylthreonyl-cysteinyl)-valyl-leucyl-glycine
[CAS# 139555-60-5]

Identification

• Name: t-Butyloxycarbonyl-cyclo(cysteinyl-t-butylseryl-asparaginyl-leucyl-t-butylseryl-t-butylthreonyl-cysteinyl)-valyl-leucyl-glycine
• Synonyms: Tert-Butyl (2S,4S)-4-[[(2S)-4-Amino-2-[[(2S)-2-Amino-3-Tert-Butoxy-Propanoyl]Amino]-4-Oxo-Butanoyl]Amino]-2-[[(2S)-2-Amino-3-Tert-Butoxy-Propanoyl]-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-Amino-3-Hydroxy-Butanoyl]Amino]Propanoyl]Amino]-3-Methyl-But-3-Enoyl]Amino]-4-Methyl-3,5-Bis-Sulfanyl-Pentanoyl]Amino]-2-[(2S)-2-(Tert-Butoxycarbonylamino)Propanoyl]-6-Methyl-3-Oxo-Heptanoate; (2S,4S)-4-[[(2S)-4-Amino-2-[[(2S)-2-Amino-3-Tert-Butoxy-1-Oxopropyl]Amino]-1,4-Dioxobutyl]Amino]-2-[[(2S)-2-Amino-3-Tert-Butoxy-1-Oxopropyl]-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-Amino-3-Hydroxy-1-Oxobutyl]Amino]-1-Oxopropyl]Amino]-3-Methyl-1-Oxobut-3-Enyl]Amino]-3,5-Dimercapto-4-Methyl-1-Oxopentyl]Amino]-2-[(2S)-2-[(Tert-Butoxy-Oxomethyl)Amino]-1-Oxopropyl]-6-Methyl-3-Oxoheptanoic Acid Tert-Butyl Ester; (2S,4S)-4-[[(2S)-4-Amino-2-[[(2S)-2-Amino-3-Tert-Butoxy-Propanoyl]Amino]-4-Keto-Butanoyl]Amino]-2-[[(2S)-2-Amino-3-Tert-Butoxy-Propanoyl]-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-Amino-3-Hydroxy-Butanoyl]Amino]Propanoyl]Amino]-3-Methyl-But-3-Enoyl]Amino]-3,5-Dimercapto-4-Methyl-Pentanoyl]Amino]-2-[(2S)-2-(Tert-Butoxycarbonylamino)Propanoyl]-3-Keto-6-Methyl-Enanthic Acid Tert-Butyl Ester
• Molecular Formula: C₅₆H₉₉N₁₁O₁₇S₂
• Molecular Weight: 1262.58
• CAS Registry Number: 139555-60-5
• SMILES: [C@@](C(OC(C)(C)C)=O)(N(C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)[C@@H](C)O)=O)C)=O)C(C)=C)=O)C(C(CS)C)S)=O)C([C@@H](N)COC(C)(C)C)=O)(C([C@@H](NC([C@@H](NC([C@@H](N)COC(C)(C)C)=O)CC(=O)N)=O)CC(C)C)=O)C([C@@H](NC(=O)OC(C)(C)C)C)=O
• InChI: 1S/C56H99N11O17S2/c1-26(2)21-34(63-45(74)35(22-36(59)69)64-44(73)32(57)23-81-52(9,10)11)42(71)56(50(79)83-54(15,16)17,41(70)29(6)62-51(80)84-55(18,19)20)67(48(77)33(58)24-82-53(12,13)14)49(78)39(40(86)28(5)25-85)66-47(76)38(27(3)4)65-43(72)30(7)61-46(75)37(60)31(8)68/h26,28-35,37-40,68,85-86H,3,21-25,57-58,60H2,1-2,4-20H3,(H2,59,69)(H,61,75)(H,62,80)(H,63,74)(H,64,73)(H,65,72)(H,66,76)/t28?,29-,30-,31+,32-,33-,34-,35-,37-,38-,39-,40?,56-/m0/s1
• InChIKey: HYTOPKJUBZLFCJ-IFRSZQCCSA-N

Properties

• Density: 1.209g/cm³ (Cal.)
• Boiling point: 1324.243°C at 760 mmHg (Cal.)
• Flash point: 754.675°C (Cal.)