2-[[(2S)-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-4-Methylpentanoyl]Amino]Acetic Acid
[CAS# 113480-19-6]

Identification

• Name: 2-[[(2S)-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-4-Methylpentanoyl]Amino]Acetic Acid
• Synonyms: 2-[[(2S)-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-4-Methyl-Pentanoyl]Amino]Acetic Acid; 2-[[(2S)-2-[[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-4-Methyl-1-Oxopentyl]Amino]Acetic Acid; 2-[[(2S)-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidin-2-Yl]Carbonylamino]-4-Methyl-Pentanoyl]Amino]Ethanoic Acid
• Molecular Formula: C₂₂H₃₂N₄O₆
• Molecular Weight: 448.52
• CAS Registry Number: 113480-19-6
• SMILES: [C@@H]2(N(C(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC2)C(=O)N[C@H](C(=O)NCC(=O)O)CC(C)C
• InChI: 1S/C22H32N4O6/c1-13(2)10-17(20(30)24-12-19(28)29)25-21(31)18-4-3-9-26(18)22(32)16(23)11-14-5-7-15(27)8-6-14/h5-8,13,16-18,27H,3-4,9-12,23H2,1-2H3,(H,24,30)(H,25,31)(H,28,29)/t16-,17-,18-/m0/s1
• InChIKey: WPXFILQZNKUYQO-BZSNNMDCSA-N