N-Tert-Butoxycarbonyl-Alanyl-Alanyl-Prolyl-Aspartyl-4-Nitroanilide
[CAS# 117722-96-0]

Identification

• Name: N-Tert-Butoxycarbonyl-Alanyl-Alanyl-Prolyl-Aspartyl-4-Nitroanilide
• Synonyms: (2S)-4-Amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-(Tert-Butoxycarbonylamino)Propanoyl]Amino]Propanoyl]Pyrrolidine-2-Carbonyl]-(4-Nitrophenyl)Amino]-4-Oxo-Butanoic Acid; (2S)-4-Amino-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[(Tert-Butoxy-Oxomethyl)Amino]-1-Oxopropyl]Amino]-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]-(4-Nitrophenyl)Amino]-4-Oxobutanoic Acid; (2S)-4-Amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-(Tert-Butoxycarbonylamino)Propanoyl]Amino]Propanoyl]Pyrrolidine-2-Carbonyl]-(4-Nitrophenyl)Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₂₆H₃₆N₆O₁₀
• Molecular Weight: 592.60
• CAS Registry Number: 117722-96-0
• 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)CC(=O)N
• InChI: 1S/C26H36N6O10/c1-14(29-25(39)42-26(3,4)5)21(34)28-15(2)22(35)30-12-6-7-18(30)23(36)31(19(24(37)38)13-20(27)33)16-8-10-17(11-9-16)32(40)41/h8-11,14-15,18-19H,6-7,12-13H2,1-5H3,(H2,27,33)(H,28,34)(H,29,39)(H,37,38)/t14-,15-,18-,19-/m0/s1
• InChIKey: KZFLVDCDFDWRDZ-LNMJFAINSA-N

Properties

• Density: 1.369g/cm³ (Cal.)
• Boiling point: 920.005°C at 760 mmHg (Cal.)
• Flash point: 510.201°C (Cal.)