Tert-Butyl (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Tert-Butylsulfanylpropanoyl]Amino]Acetyl]Amino]-3-Phenylpropanoyl]Amino]-4-Methylpentanoyl]Amino]-3-Hydroxybutanoate
[CAS# 131766-24-0]

Identification

• Name: Tert-Butyl (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Tert-Butylsulfanylpropanoyl]Amino]Acetyl]Amino]-3-Phenylpropanoyl]Amino]-4-Methylpentanoyl]Amino]-3-Hydroxybutanoate
• Synonyms: Tert-Butyl (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Tert-Butylsulfanyl-Propanoyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Hydroxy-Butanoate; (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-3-(Tert-Butylthio)-1-Oxopropyl]Amino]-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-3-Hydroxybutanoic Acid Tert-Butyl Ester; (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-(Tert-Butylthio)Propanoyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Hydroxy-Butyric Acid Tert-Butyl Ester
• Molecular Formula: C₄₁H₆₂N₆O₉S
• Molecular Weight: 815.04
• CAS Registry Number: 131766-24-0
• SMILES: [C@H](C(=O)OC(C)(C)C)(NC([C@@H](NC([C@@H](NC(CNC([C@H](NC([C@@H](N)CC1=CC=C(O)C=C1)=O)CSC(C)(C)C)=O)=O)CC2=CC=CC=C2)=O)CC(C)C)=O)[C@@H](C)O
• InChI: 1S/C41H62N6O9S/c1-24(2)19-30(38(54)47-34(25(3)48)39(55)56-40(4,5)6)45-37(53)31(21-26-13-11-10-12-14-26)44-33(50)22-43-36(52)32(23-57-41(7,8)9)46-35(51)29(42)20-27-15-17-28(49)18-16-27/h10-18,24-25,29-32,34,48-49H,19-23,42H2,1-9H3,(H,43,52)(H,44,50)(H,45,53)(H,46,51)(H,47,54)/t25-,29+,30+,31+,32-,34+/m1/s1
• InChIKey: DXMLPUPIEUVWKS-GQAKXHIGSA-N
• Protein Sequence: H-Tyr-D-Cys(tBu)-Gly-Phe-Leu-Thr(tBu)-OH

Properties

• Density: 1.202g/cm³ (Cal.)
• Boiling point: 1105.912°C at 760 mmHg (Cal.)
• Flash point: 622.633°C (Cal.)