Methyl (2S)-2-[(2-Amino-2-Propylpentanoyl)-[(2S)-4-Methyl-2-[(2-Methylpropan-2-Yl)Oxycarbonylamino]Pentanoyl]Amino]-3-Methylbutanoate
[CAS# 154331-04-1]

Identification

• Name: Methyl (2S)-2-[(2-Amino-2-Propylpentanoyl)-[(2S)-4-Methyl-2-[(2-Methylpropan-2-Yl)Oxycarbonylamino]Pentanoyl]Amino]-3-Methylbutanoate
• Synonyms: Methyl (2S)-2-[(2-Amino-2-Propyl-Pentanoyl)-[(2S)-2-(Tert-Butoxycarbonylamino)-4-Methyl-Pentanoyl]Amino]-3-Methyl-Butanoate; (2S)-2-[(2-Amino-1-Oxo-2-Propylpentyl)-[(2S)-2-[(Tert-Butoxy-Oxomethyl)Amino]-4-Methyl-1-Oxopentyl]Amino]-3-Methylbutanoic Acid Methyl Ester; (2S)-2-[(2-Amino-2-Propyl-Pentanoyl)-[(2S)-2-(Tert-Butoxycarbonylamino)-4-Methyl-Pentanoyl]Amino]-3-Methyl-Butyric Acid Methyl Ester
• Molecular Formula: C₂₅H₄₇N₃O₆
• Molecular Weight: 485.66
• CAS Registry Number: 154331-04-1
• SMILES: [C@H](C(=O)OC)(N(C(C(N)(CCC)CCC)=O)C([C@@H](NC(=O)OC(C)(C)C)CC(C)C)=O)C(C)C
• InChI: 1S/C25H47N3O6/c1-11-13-25(26,14-12-2)22(31)28(19(17(5)6)21(30)33-10)20(29)18(15-16(3)4)27-23(32)34-24(7,8)9/h16-19H,11-15,26H2,1-10H3,(H,27,32)/t18-,19-/m0/s1
• InChIKey: SEUNDRKESYTGFG-OALUTQOASA-N

Properties

• Density: 1.047g/cm³ (Cal.)
• Boiling point: 574.934°C at 760 mmHg (Cal.)
• Flash point: 301.509°C (Cal.)