tert-Butyloxycarbonyltyrosyl-glycyl-glycyl-phenylalanyl-psi(thioamide)leucyl benzyl ester
[CAS# 125482-08-8]

Identification

• Name: tert-Butyloxycarbonyltyrosyl-glycyl-glycyl-phenylalanyl-psi(thioamide)leucyl benzyl ester
• Synonyms: Phenylmethyl (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-(Tert-Butoxycarbonylamino)-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]Amino]Acetyl]Sulfanylamino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoate; (2S)-2-[[(2S)-2-[[[2-[[2-[[(2S)-2-[(Tert-Butoxy-Oxomethyl)Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxoethyl]Amino]-1-Oxoethyl]Thio]Amino]-1-Oxo-3-Phenylpropyl]Amino]-4-Methylpentanoic Acid Phenylmethyl Ester; (2S)-2-[[(2S)-2-[[[2-[[2-[[(2S)-2-(Tert-Butoxycarbonylamino)-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]Amino]Acetyl]Thio]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Valeric Acid Benzyl Ester
• Molecular Formula: C₄₀H₅₁N₅O₉S
• Molecular Weight: 777.93
• CAS Registry Number: 125482-08-8
• SMILES: [C@H](C(=O)OCC1=CC=CC=C1)(NC([C@@H](NSC(CNC(CNC([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
• InChI: 1S/C40H51N5O9S/c1-26(2)20-33(38(51)53-25-29-14-10-7-11-15-29)43-37(50)32(22-27-12-8-6-9-13-27)45-55-35(48)24-41-34(47)23-42-36(49)31(44-39(52)54-40(3,4)5)21-28-16-18-30(46)19-17-28/h6-19,26,31-33,45-46H,20-25H2,1-5H3,(H,41,47)(H,42,49)(H,43,50)(H,44,52)/t31-,32-,33-/m0/s1
• InChIKey: AOINYLVQHQZRPH-ZDCRTTOTSA-N

Properties

• Density: 1.24g/cm³ (Cal.)