2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenylpropyl]Pyrrolidine-2-Carbonyl]Amino]Acetic Acid
[CAS# 143984-57-0]

Identification

• Name: 2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenylpropyl]Pyrrolidine-2-Carbonyl]Amino]Acetic Acid
• Synonyms: 2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propyl]Pyrrolidine-2-Carbonyl]Amino]Acetic Acid; 2-[[[(2S)-1-[2-[[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-Phenylpropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]Acetic Acid; 2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidin-2-Yl]Carbonylamino]-3-Phenyl-Propyl]Pyrrolidin-2-Yl]Carbonylamino]Ethanoic Acid
• Molecular Formula: C₃₀H₃₉N₅O₆
• Molecular Weight: 565.67
• CAS Registry Number: 143984-57-0
• SMILES: [C@@H]2(N(C(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC2)C(=O)NC(CN3[C@H](C(=O)NCC(=O)O)CCC3)CC4=CC=CC=C4
• InChI: 1S/C30H39N5O6/c31-24(17-21-10-12-23(36)13-11-21)30(41)35-15-5-9-26(35)29(40)33-22(16-20-6-2-1-3-7-20)19-34-14-4-8-25(34)28(39)32-18-27(37)38/h1-3,6-7,10-13,22,24-26,36H,4-5,8-9,14-19,31H2,(H,32,39)(H,33,40)(H,37,38)/t22?,24-,25-,26-/m0/s1
• InChIKey: BKJJSAHMQCJKJK-FYEYIQNQSA-N

Properties

• Density: 1.31g/cm³ (Cal.)
• Boiling point: 941.859°C at 760 mmHg (Cal.)
• Flash point: 523.417°C (Cal.)