Tert-Butyl N-[(1S)-1-[[(2S)-2-[[(2S)-6-Amino-1-Oxo-Hexan-2-Yl]Amino]-4-Methyl-Pentanoyl]Carbamoyl]-3-Carbamoyl-Propyl]Carbamate
[CAS# 82050-19-9]

Identification

• Name: Tert-Butyl N-[(1S)-1-[[(2S)-2-[[(2S)-6-Amino-1-Oxo-Hexan-2-Yl]Amino]-4-Methyl-Pentanoyl]Carbamoyl]-3-Carbamoyl-Propyl]Carbamate
• Synonyms: Tert-Butyl N-[(1S)-4-Amino-1-[[(2S)-2-[[(1S)-5-Amino-1-Formyl-Pentyl]Amino]-4-Methyl-Pentanoyl]Carbamoyl]-4-Oxo-Butyl]Carbamate; N-[(1S)-4-Amino-1-[[[(2S)-2-[[(1S)-5-Amino-1-Formylpentyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-Oxomethyl]-4-Oxobutyl]Carbamic Acid Tert-Butyl Ester; N-[(1S)-4-Amino-1-[[(2S)-2-[[(1S)-5-Amino-1-Formyl-Pentyl]Amino]-4-Methyl-Pentanoyl]Carbamoyl]-4-Keto-Butyl]Carbamic Acid Tert-Butyl Ester
• Molecular Formula: C₂₂H₄₁N₅O₆
• Molecular Weight: 471.60
• CAS Registry Number: 82050-19-9
• SMILES: [C@H](C(=O)NC([C@@H](NC(=O)OC(C)(C)C)CCC(=O)N)=O)(N[C@@H](CCCCN)C=O)CC(C)C
• InChI: 1S/C22H41N5O6/c1-14(2)12-17(25-15(13-28)8-6-7-11-23)20(31)27-19(30)16(9-10-18(24)29)26-21(32)33-22(3,4)5/h13-17,25H,6-12,23H2,1-5H3,(H2,24,29)(H,26,32)(H,27,30,31)/t15-,16-,17-/m0/s1
• InChIKey: NNDVFUMCCOOAEB-ULQDDVLXSA-N

Properties

• Density: 1.125g/cm³ (Cal.)
• Boiling point: 686.848°C at 760 mmHg (Cal.)
• Flash point: 369.193°C (Cal.)