2-[[(2S)-1-[(2S,3S)-3-Methyl-2-[[(2S)-2-[[2-[[(2S)-Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]Propanoyl]Amino]Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]Acetic Acid
[CAS# 148337-06-8]

Identification

• Name: 2-[[(2S)-1-[(2S,3S)-3-Methyl-2-[[(2S)-2-[[2-[[(2S)-Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]Propanoyl]Amino]Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]Acetic Acid
• Synonyms: 2-[[[(2S)-1-[(2S,3S)-3-Methyl-1-Oxo-2-[[(2S)-1-Oxo-2-[[1-Oxo-2-[[Oxo-[(2S)-2-Pyrrolidinyl]Methyl]Amino]Ethyl]Amino]Propyl]Amino]Pentyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]Acetic Acid; 2-[[(2S)-1-[(2S,3S)-3-Methyl-2-[[(2S)-2-[[2-(Prolylamino)Acetyl]Amino]Propanoyl]Amino]Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]Acetic Acid; 2-[[(2S)-1-[(2S,3S)-3-Methyl-2-[[(2S)-2-[2-[[(2S)-Pyrrolidin-2-Yl]Carbonylamino]Ethanoylamino]Propanoyl]Amino]Pentanoyl]Pyrrolidin-2-Yl]Carbonylamino]Ethanoic Acid
• Molecular Formula: C₂₃H₃₈N₆O₇
• Molecular Weight: 510.59
• CAS Registry Number: 148337-06-8
• SMILES: [C@H]1(C(NCC(=O)O)=O)N(CCC1)C([C@@H](NC([C@@H](NC(CNC([C@H]2NCCC2)=O)=O)C)=O)[C@H](CC)C)=O
• InChI: 1S/C23H38N6O7/c1-4-13(2)19(23(36)29-10-6-8-16(29)22(35)26-12-18(31)32)28-20(33)14(3)27-17(30)11-25-21(34)15-7-5-9-24-15/h13-16,19,24H,4-12H2,1-3H3,(H,25,34)(H,26,35)(H,27,30)(H,28,33)(H,31,32)/t13-,14-,15-,16-,19-/m0/s1
• InChIKey: GRPMKDCBBAUSQM-GMHRPJKWSA-N

Properties

• Density: 1.265g/cm³ (Cal.)
• Boiling point: 959.048°C at 760 mmHg (Cal.)
• Flash point: 533.813°C (Cal.)