(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenylpropanoyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]-4-Methylpentanoic Acid
[CAS# 154396-74-4]

Identification

• Name: (2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenylpropanoyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]-4-Methylpentanoic Acid
• Synonyms: (2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propanoyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]-4-Methyl-Pentanoic Acid; (2S)-2-[[[(2S)-1-[[(2S)-1-[(2S)-2-[[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxo-3-Phenylpropyl]-2-Pyrrolidinyl]-Oxomethyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-4-Methylpentanoic Acid; (2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propanoyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]-4-Methyl-Valeric Acid
• Molecular Formula: C₃₉H₅₂N₆O₈
• Molecular Weight: 732.88
• CAS Registry Number: 154396-74-4
• SMILES: [C@@H](N)(C(=O)N4[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N1[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CCC1)CCC2)CC3=CC=CC=C3)CCC4)CC5=CC=C(C=C5)O
• InChI: 1S/C39H52N6O8/c1-24(2)21-30(39(52)53)42-35(48)32-12-7-19-44(32)38(51)33-13-8-20-45(33)37(50)29(23-25-9-4-3-5-10-25)41-34(47)31-11-6-18-43(31)36(49)28(40)22-26-14-16-27(46)17-15-26/h3-5,9-10,14-17,24,28-33,46H,6-8,11-13,18-23,40H2,1-2H3,(H,41,47)(H,42,48)(H,52,53)/t28-,29-,30-,31-,32-,33-/m0/s1
• InChIKey: SWFPGAOVDUHWNK-FSJACQRISA-N

Properties

• Density: 1.31g/cm³ (Cal.)
• Boiling point: 1081.353°C at 760 mmHg (Cal.)
• Flash point: 607.781°C (Cal.)