(2S)-1-[2-[[(2S)-4-Methyl-2-[[(2S)-1-[2-(Phenylmethoxycarbonylamino)Acetyl]Pyrrolidine-2-Carbonyl]Amino]Pentanoyl]Amino]Acetyl]Pyrrolidine-2-Carboxylic Acid
[CAS# 2646-61-9]

Identification

• Name: (2S)-1-[2-[[(2S)-4-Methyl-2-[[(2S)-1-[2-(Phenylmethoxycarbonylamino)Acetyl]Pyrrolidine-2-Carbonyl]Amino]Pentanoyl]Amino]Acetyl]Pyrrolidine-2-Carboxylic Acid
• Synonyms: (2S)-1-[2-[[(2S)-4-Methyl-1-Oxo-2-[[Oxo-[(2S)-1-[1-Oxo-2-[[Oxo-(Phenylmethoxy)Methyl]Amino]Ethyl]-2-Pyrrolidinyl]Methyl]Amino]Pentyl]Amino]-1-Oxoethyl]-2-Pyrrolidinecarboxylic Acid; (2S)-1-[2-[[(2S)-2-[[(2S)-1-[2-(Benzyloxycarbonylamino)Acetyl]Pyrrolidine-2-Carbonyl]Amino]-4-Methyl-Pentanoyl]Amino]Acetyl]Proline; (2S)-1-[2-[[(2S)-4-Methyl-2-[[(2S)-1-[2-(Phenylmethoxycarbonylamino)Ethanoyl]Pyrrolidin-2-Yl]Carbonylamino]Pentanoyl]Amino]Ethanoyl]Pyrrolidine-2-Carboxylic Acid
• Molecular Formula: C₂₈H₃₉N₅O₈
• Molecular Weight: 573.64
• CAS Registry Number: 2646-61-9
• SMILES: [C@@H]2(N(C(=O)CNC(OCC1=CC=CC=C1)=O)CCC2)C(=O)N[C@H](C(=O)NCC(=O)N3[C@@H](CCC3)C(=O)O)CC(C)C
• InChI: 1S/C28H39N5O8/c1-18(2)14-20(25(36)29-15-23(34)33-13-7-11-22(33)27(38)39)31-26(37)21-10-6-12-32(21)24(35)16-30-28(40)41-17-19-8-4-3-5-9-19/h3-5,8-9,18,20-22H,6-7,10-17H2,1-2H3,(H,29,36)(H,30,40)(H,31,37)(H,38,39)/t20-,21-,22-/m0/s1
• InChIKey: DGRDYZZPQWDRBB-FKBYEOEOSA-N
• Protein Sequence: Z-Gly-Pro-Leu-Gly-Pro-OH

Properties

• Density: 1.301g/cm³ (Cal.)
• Boiling point: 930.603°C at 760 mmHg (Cal.)
• Flash point: 516.61°C (Cal.)