Tert-Butoxycarbonyl-Alanyl-Alanyl-Prolyl-Glutamyl-4-Nitroanilide
[CAS# 117722-95-9]

Identification

• Name: Tert-Butoxycarbonyl-Alanyl-Alanyl-Prolyl-Glutamyl-4-Nitroanilide
• Synonyms: (2S)-5-Amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-(Tert-Butoxycarbonylamino)Propanoyl]Amino]Propanoyl]Pyrrolidine-2-Carbonyl]-(4-Nitrophenyl)Amino]-5-Oxo-Pentanoic Acid; (2S)-5-Amino-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[(Tert-Butoxy-Oxomethyl)Amino]-1-Oxopropyl]Amino]-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]-(4-Nitrophenyl)Amino]-5-Oxopentanoic Acid; (2S)-5-Amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-(Tert-Butoxycarbonylamino)Propanoyl]Amino]Propanoyl]Pyrrolidine-2-Carbonyl]-(4-Nitrophenyl)Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₂₇H₃₈N₆O₁₀
• Molecular Weight: 606.63
• CAS Registry Number: 117722-95-9
• SMILES: [C@@H]1(N(C(=O)[C@@H](NC(=O)[C@@H](NC(OC(C)(C)C)=O)C)C)CCC1)C(=O)N(C2=CC=C([N+]([O-])=O)C=C2)[C@H](C(=O)O)CCC(=O)N
• InChI: 1S/C27H38N6O10/c1-15(30-26(40)43-27(3,4)5)22(35)29-16(2)23(36)31-14-6-7-19(31)24(37)32(20(25(38)39)12-13-21(28)34)17-8-10-18(11-9-17)33(41)42/h8-11,15-16,19-20H,6-7,12-14H2,1-5H3,(H2,28,34)(H,29,35)(H,30,40)(H,38,39)/t15-,16-,19-,20-/m0/s1
• InChIKey: HCAUHBOLWYMLRJ-FVCZOJIISA-N

Properties

• Density: 1.35g/cm³ (Cal.)
• Boiling point: 936.853°C at 760 mmHg (Cal.)
• Flash point: 520.39°C (Cal.)