(3S)-3-[(2S,3R)-3-Acetoxy-1-(L-Valyl)-2-Pyrrolidinyl]-3-{[N-(2-Methylbutanoyl)-L-Phenylalanyl]Oxy}Propanoic Acid
[CAS# 37878-19-6]

Identification

• Name: (3S)-3-[(2S,3R)-3-Acetoxy-1-(L-Valyl)-2-Pyrrolidinyl]-3-{[N-(2-Methylbutanoyl)-L-Phenylalanyl]Oxy}Propanoic Acid
• Molecular Formula: C₂₈H₄₁N₃O₈
• Molecular Weight: 547.64
• CAS Registry Number: 37878-19-6
• SMILES: CCC(C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O[C@@H](CC(=O)O)[C@@H]2[C@@H](CCN2C(=O)[C@H](C(C)C)N)OC(=O)C
• InChI: 1S/C28H41N3O8/c1-6-17(4)26(35)30-20(14-19-10-8-7-9-11-19)28(37)39-22(15-23(33)34)25-21(38-18(5)32)12-13-31(25)27(36)24(29)16(2)3/h7-11,16-17,20-22,24-25H,6,12-15,29H2,1-5H3,(H,30,35)(H,33,34)/t17?,20-,21+,22-,24-,25-/m0/s1
• InChIKey: GOZDOQQVOQTNBQ-WZJIJDEQSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 748.9±60.0°C at 760 mmHg (Cal.)
• Flash point: 406.7±32.9°C (Cal.)