N-tert-Butyloxycarbonyl-valyl-alanyl-leucyl-aminoisobutyryl-valyl-alanyl-leucyl(valyl-alanyl-leucyl-aminoisobutyryl)(2) methyl ester
[CAS# 130378-94-8]

Identification

• Name: N-tert-Butyloxycarbonyl-valyl-alanyl-leucyl-aminoisobutyryl-valyl-alanyl-leucyl(valyl-alanyl-leucyl-aminoisobutyryl)(2) methyl ester
• Synonyms: Methyl (2S,5S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-Amino-2-Methyl-Propanoyl)Amino]-3-Methyl-Butanoyl]Amino]Propanoyl]Amino]-4-Methyl-Pentanoyl]-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-Amino-2-Methyl-Propanoyl)Amino]-3-Methyl-Butanoyl]Amino]Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-5-[[(2S)-2-[[(2S)-2-(Tert-Butoxycarbonylamino)-3-Methyl-Butanoyl]Amino]Propanoyl]Amino]-2,7-Dimethyl-4-Oxo-Octanoate; (2S,5S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-Amino-2-Methyl-Propanoyl)Amino]-3-Methyl-Butanoyl]Amino]Propanoyl]Amino]-4-Methyl-Pentanoyl]-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-Amino-2-Methyl-Propanoyl)Amino]-3-Methyl-Butanoyl]Amino]Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-5-[[(2S)-2-[[(2S)-2-(Tert-Butoxycarbonylamino)-3-Methyl-Butanoyl]Amino]Propanoyl]Amino]-4-Keto-2,7-Dimethyl-Caprylic Acid Methyl Ester; Methyl (2S,5S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-Amino-2-Methyl-Propanoyl)Amino]-3-Methyl-Butanoyl]Amino]Propanoyl]Amino]-4-Methyl-Pentanoyl]-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-Amino-2-Methyl-Propanoyl)Amino]-3-Methyl-Butanoyl]Amino]Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-2,7-Dimethyl-5-[[(2S)-2-[[(2S)-3-Methyl-2-[(2-Methylpropan-2-Yl)Oxycarbonylamino]Butanoyl]Amino]Propanoyl]Amino]-4-Oxo-Octanoate
• Molecular Formula: C₇₄H₁₃₃N₁₅O₁₈
• Molecular Weight: 1520.95
• CAS Registry Number: 130378-94-8
• SMILES: [C@@](C(=O)OC)(N(C([C@@H](NC([C@@H](NC([C@@H](NC(C(N)(C)C)=O)C(C)C)=O)C)=O)CC(C)C)=O)C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(C(N)(C)C)=O)C(C)C)=O)C)=O)CC(C)C)=O)C(C)C)=O)C)=O)CC(C)C)=O)(CC([C@@H](NC([C@@H](NC([C@@H](NC(=O)OC(C)(C)C)C(C)C)=O)C)=O)CC(C)C)=O)C
• InChI: 1S/C74H133N15O18/c1-35(2)30-47(81-56(91)43(17)80-64(99)55(42(15)16)88-70(105)107-71(21,22)23)51(90)34-74(28,69(104)106-29)89(66(101)50(33-38(7)8)84-59(94)46(20)79-63(98)54(41(13)14)87-68(103)73(26,27)76)65(100)49(32-37(5)6)83-58(93)45(19)77-61(96)52(39(9)10)85-60(95)48(31-36(3)4)82-57(92)44(18)78-62(97)53(40(11)12)86-67(102)72(24,25)75/h35-50,52-55H,30-34,75-76H2,1-29H3,(H,77,96)(H,78,97)(H,79,98)(H,80,99)(H,81,91)(H,82,92)(H,83,93)(H,84,94)(H,85,95)(H,86,102)(H,87,103)(H,88,105)/t43-,44-,45-,46-,47-,48-,49-,50-,52-,53-,54-,55-,74-/m0/s1
• InChIKey: NMDCFIUFBQNWOC-WBTSDLPUSA-N

Properties

• Density: 1.131g/cm³ (Cal.)
• Boiling point: 1515.672°C at 760 mmHg (Cal.)
• Flash point: 870.447°C (Cal.)