Tert-Butyl N-[(2S)-5-Amino-1-[[(2S)-6-Amino-1-[[(2S)-6-Amino-2-[(4-Methyl-2-Oxochromen-7-Yl)Amino]Hexanoyl]Amino]-1-Oxohexan-2-Yl]Amino]-1,5-Dioxopentan-2-Yl]Carbamate
[CAS# 106984-12-7]

Identification

• Name: Tert-Butyl N-[(2S)-5-Amino-1-[[(2S)-6-Amino-1-[[(2S)-6-Amino-2-[(4-Methyl-2-Oxochromen-7-Yl)Amino]Hexanoyl]Amino]-1-Oxohexan-2-Yl]Amino]-1,5-Dioxopentan-2-Yl]Carbamate
• Synonyms: Tert-Butyl N-[(1S)-4-Amino-1-[[(1S)-5-Amino-1-[[(2S)-6-Amino-2-[(4-Methyl-2-Oxo-Chromen-7-Yl)Amino]Hexanoyl]Carbamoyl]Pentyl]Carbamoyl]-4-Oxo-Butyl]Carbamate; N-[(1S)-4-Amino-1-[[[(1S)-5-Amino-1-[[[(2S)-6-Amino-2-[(4-Methyl-2-Oxo-7-Chromenyl)Amino]-1-Oxohexyl]Amino]-Oxomethyl]Pentyl]Amino]-Oxomethyl]-4-Oxobutyl]Carbamic Acid Tert-Butyl Ester; N-[(1S)-4-Amino-1-[[(1S)-5-Amino-1-[[(2S)-6-Amino-2-[(2-Keto-4-Methyl-Chromen-7-Yl)Amino]Hexanoyl]Carbamoyl]Pentyl]Carbamoyl]-4-Keto-Butyl]Carbamic Acid Tert-Butyl Ester
• Molecular Formula: C₃₂H₄₉N₇O₈
• Molecular Weight: 659.78
• CAS Registry Number: 106984-12-7
• SMILES: [C@@H](NC1=CC=C2C(=C1)OC(=O)C=C2C)(C(=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(OC(C)(C)C)=O)CCC(=O)N)CCCCN)CCCCN
• InChI: 1S/C32H49N7O8/c1-19-17-27(41)46-25-18-20(11-12-21(19)25)36-22(9-5-7-15-33)29(43)39-30(44)23(10-6-8-16-34)37-28(42)24(13-14-26(35)40)38-31(45)47-32(2,3)4/h11-12,17-18,22-24,36H,5-10,13-16,33-34H2,1-4H3,(H2,35,40)(H,37,42)(H,38,45)(H,39,43,44)/t22-,23-,24-/m0/s1
• InChIKey: IKULHSRMJQPVTD-HJOGWXRNSA-N

Properties

• Density: 1.241g/cm³ (Cal.)
• Boiling point: 975.837°C at 760 mmHg (Cal.)
• Flash point: 543.967°C (Cal.)