Tyrosyl-seryl(O-tert-butyl)-glycyl-phenylalanyl-leucyl-threonine
[CAS# 110786-67-9]

Identification

• Name: Tyrosyl-seryl(O-tert-butyl)-glycyl-phenylalanyl-leucyl-threonine
• Synonyms: (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Tert-Butoxy-Propanoyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Hydroxy-Butanoic Acid; (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-3-Tert-Butoxy-1-Oxopropyl]Amino]-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-3-Hydroxybutanoic Acid; (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Tert-Butoxy-Propanoyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Hydroxy-Butyric Acid
• Molecular Formula: C₃₇H₅₄N₆O₁₀
• Molecular Weight: 742.87
• CAS Registry Number: 110786-67-9
• SMILES: [C@@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)COC(C)(C)C)(C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)CC(C)C)CC2=CC=CC=C2
• InChI: 1S/C37H54N6O10/c1-21(2)16-27(35(50)43-31(22(3)44)36(51)52)41-34(49)28(18-23-10-8-7-9-11-23)40-30(46)19-39-33(48)29(20-53-37(4,5)6)42-32(47)26(38)17-24-12-14-25(45)15-13-24/h7-15,21-22,26-29,31,44-45H,16-20,38H2,1-6H3,(H,39,48)(H,40,46)(H,41,49)(H,42,47)(H,43,50)(H,51,52)/t22-,26+,27+,28+,29-,31+/m1/s1
• InChIKey: DOMQMNWQZKXZCU-GUVNKXFDSA-N

Properties

• Density: 1.247g/cm³ (Cal.)
• Boiling point: 1121.87°C at 760 mmHg (Cal.)
• Flash point: 632.284°C (Cal.)