4-[[(2S)-2-[(2-Methylpropan-2-Yl)Oxycarbonylamino]-3-Phenylpropanoyl]Amino]Butanoate
[CAS# 112670-47-0]

Identification

• Name: 4-[[(2S)-2-[(2-Methylpropan-2-Yl)Oxycarbonylamino]-3-Phenylpropanoyl]Amino]Butanoate
• Synonyms: 4-[[(2S)-2-(Tert-Butoxycarbonylamino)-3-Phenyl-Propanoyl]Amino]Butanoate; 4-[[(2S)-2-[(Tert-Butoxy-Oxomethyl)Amino]-1-Oxo-3-Phenylpropyl]Amino]Butanoate; 4-[[(2S)-2-(Tert-Butoxycarbonylamino)-3-Phenyl-Propanoyl]Amino]Butyrate
• Molecular Formula: C₁₈H₂₅N₂O₅
• Molecular Weight: 349.41
• CAS Registry Number: 112670-47-0
• SMILES: [C@H](NC(OC(C)(C)C)=O)(CC1=CC=CC=C1)C(=O)NCCCC([O-])=O
• InChI: 1S/C18H26N2O5/c1-18(2,3)25-17(24)20-14(12-13-8-5-4-6-9-13)16(23)19-11-7-10-15(21)22/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,19,23)(H,20,24)(H,21,22)/p-1/t14-/m0/s1
• InChIKey: MATKQBMBHKZQDC-AWEZNQCLSA-M

Properties

• Boiling point: 613.973°C at 760 mmHg (Cal.)
• Flash point: 325.12°C (Cal.)