tert-Butyloxycarbonyl-tyrosyl-prolyl-glycyl-phenylalanyl-leucyl-(O-tert-butyl)threonine
[CAS# 179124-36-8]

Identification

• Name: tert-Butyloxycarbonyl-tyrosyl-prolyl-glycyl-phenylalanyl-leucyl-(O-tert-butyl)threonine
• Synonyms: (2S,3R)-3-Tert-Butoxy-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-(Tert-Butoxycarbonylamino)-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Butanoic Acid; (2S,3R)-3-Tert-Butoxy-2-[[(2S)-2-[[(2S)-2-[[2-[[[(2S)-1-[(2S)-2-[(Tert-Butoxy-Oxomethyl)Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]Butanoic Acid; (2S,3R)-3-Tert-Butoxy-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-(Tert-Butoxycarbonylamino)-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Butyric Acid
• Molecular Formula: C₄₄H₆₄N₆O₁₁
• Molecular Weight: 853.02
• CAS Registry Number: 179124-36-8
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](NC(CNC([C@H]1N(CCC1)C([C@@H](NC(=O)OC(C)(C)C)CC2=CC=C(O)C=C2)=O)=O)=O)CC3=CC=CC=C3)=O)CC(C)C)=O)[C@@H](C)OC(C)(C)C
• InChI: 1S/C44H64N6O11/c1-26(2)22-31(38(54)49-36(41(57)58)27(3)60-43(4,5)6)47-37(53)32(23-28-14-11-10-12-15-28)46-35(52)25-45-39(55)34-16-13-21-50(34)40(56)33(48-42(59)61-44(7,8)9)24-29-17-19-30(51)20-18-29/h10-12,14-15,17-20,26-27,31-34,36,51H,13,16,21-25H2,1-9H3,(H,45,55)(H,46,52)(H,47,53)(H,48,59)(H,49,54)(H,57,58)/t27-,31+,32+,33+,34+,36+/m1/s1
• InChIKey: MHVNVVCCPNGHGH-NYFFDOGYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 1129.1±65.0°C at 760 mmHg (Cal.)
• Flash point: 636.6±34.3°C (Cal.)