(2S)-2-[[(2S)-2-Amino-2-Cyclopropylacetyl]-[(2S)-3-(2-Bromo-1H-Indol-3-Yl)-2-[[(2S,6R)-2,6-Dimethylpiperidine-1-Carbonyl]Amino]Propanoyl]Amino]Hexanoic Acid
[CAS# 166735-10-0]

Identification

• Name: (2S)-2-[[(2S)-2-Amino-2-Cyclopropylacetyl]-[(2S)-3-(2-Bromo-1H-Indol-3-Yl)-2-[[(2S,6R)-2,6-Dimethylpiperidine-1-Carbonyl]Amino]Propanoyl]Amino]Hexanoic Acid
• Synonyms: (2S)-2-[[(2S)-2-Amino-2-Cyclopropyl-Acetyl]-[(2S)-3-(2-Bromo-1H-Indol-3-Yl)-2-[[(2S,6R)-2,6-Dimethylpiperidine-1-Carbonyl]Amino]Propanoyl]Amino]Hexanoic Acid; (2S)-2-[[(2S)-2-Amino-2-Cyclopropyl-1-Oxoethyl]-[(2S)-3-(2-Bromo-1H-Indol-3-Yl)-2-[[[(2S,6R)-2,6-Dimethyl-1-Piperidinyl]-Oxomethyl]Amino]-1-Oxopropyl]Amino]Hexanoic Acid; (2S)-2-[[(2S)-2-Amino-2-Cyclopropyl-Ethanoyl]-[(2S)-3-(2-Bromo-1H-Indol-3-Yl)-2-[[(2S,6R)-2,6-Dimethylpiperidin-1-Yl]Carbonylamino]Propanoyl]Amino]Hexanoic Acid
• Molecular Formula: C₃₀H₄₂BrN₅O₅
• Molecular Weight: 632.60
• CAS Registry Number: 166735-10-0
• SMILES: [C@@H](NC(=O)N1[C@@H](CCC[C@@H]1C)C)(C(=O)N(C(=O)[C@@H](N)C2CC2)[C@H](C(=O)O)CCCC)CC3=C(Br)[NH]C4=CC=CC=C34
• InChI: 1S/C30H42BrN5O5/c1-4-5-13-24(29(39)40)36(28(38)25(32)19-14-15-19)27(37)23(34-30(41)35-17(2)9-8-10-18(35)3)16-21-20-11-6-7-12-22(20)33-26(21)31/h6-7,11-12,17-19,23-25,33H,4-5,8-10,13-16,32H2,1-3H3,(H,34,41)(H,39,40)/t17-,18+,23-,24-,25-/m0/s1
• InChIKey: DNMXWWIEJAFXLJ-YBGNPTCXSA-N

Properties

• Density: 1.376g/cm³ (Cal.)
• Boiling point: 851.048°C at 760 mmHg (Cal.)
• Flash point: 468.497°C (Cal.)