Endothelin (16-21) Amide
[CAS# 122855-39-4]

Identification

• Name: Endothelin (16-21) Amide
• Synonyms: (3S)-3-[[(2S)-2-[[(2S)-2-Amino-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-4-[[(1S,2S)-1-[[(1S,2S)-1-[[(1S)-2-Amino-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Butyl]Carbamoyl]-2-Methyl-Butyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-[[(2S)-2-[[(2S)-2-Amino-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-4-[[(1S,2S)-1-[[[(1S,2S)-1-[[[(1S)-2-Amino-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylbutyl]Amino]-Oxomethyl]-2-Methylbutyl]Amino]-4-Oxobutanoic Acid; (3S)-3-[[(2S)-2-[[(2S)-2-Amino-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-4-[[(1S,2S)-1-[[(1S,2S)-1-[[(1S)-2-Amino-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Butyl]Carbamoyl]-2-Methyl-Butyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₃₉H₅₈N₁₀O₈
• Molecular Weight: 794.95
• CAS Registry Number: 122855-39-4
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CN=C[NH]1)CC(C)C)CC(O)=O)([C@H](CC)C)C(=O)N[C@@H]([C@H](CC)C)C(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N
• InChI: 1S/C39H58N10O8/c1-7-21(5)32(38(56)45-28(34(41)52)14-23-17-43-27-12-10-9-11-25(23)27)49-39(57)33(22(6)8-2)48-37(55)30(16-31(50)51)47-36(54)29(13-20(3)4)46-35(53)26(40)15-24-18-42-19-44-24/h9-12,17-22,26,28-30,32-33,43H,7-8,13-16,40H2,1-6H3,(H2,41,52)(H,42,44)(H,45,56)(H,46,53)(H,47,54)(H,48,55)(H,49,57)(H,50,51)/t21-,22-,26-,28-,29-,30-,32-,33-/m0/s1
• InChIKey: FWVZHRHXIMSTNH-IVGDYKFASA-N

Properties

• Density: 1.265g/cm³ (Cal.)
• Boiling point: 1245.67°C at 760 mmHg (Cal.)
• Flash point: 707.156°C (Cal.)