Endothelin (16-21)
[CAS# 121377-67-1]

Identification

• Name: Endothelin (16-21)
• 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-Hydroxy-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-Hydroxy-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-Hydroxy-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Butyl]Carbamoyl]-2-Methyl-Butyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₃₉H₅₇N₉O₉
• Molecular Weight: 795.93
• CAS Registry Number: 121377-67-1
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CC1=CN=C[NH]1)=O)CC(C)C)=O)CC(=O)O)=O)[C@H](CC)C)=O)[C@H](CC)C)=O)CC2=C[NH]C3=CC=CC=C23
• InChI: 1S/C39H57N9O9/c1-7-21(5)32(37(54)46-30(39(56)57)14-23-17-42-27-12-10-9-11-25(23)27)48-38(55)33(22(6)8-2)47-36(53)29(16-31(49)50)45-35(52)28(13-20(3)4)44-34(51)26(40)15-24-18-41-19-43-24/h9-12,17-22,26,28-30,32-33,42H,7-8,13-16,40H2,1-6H3,(H,41,43)(H,44,51)(H,45,52)(H,46,54)(H,47,53)(H,48,55)(H,49,50)(H,56,57)/t21-,22-,26-,28-,29-,30-,32-,33-/m0/s1
• InChIKey: NTSBFTNRWQVBCA-IVGDYKFASA-N

Properties

• Density: 1.279g/cm³ (Cal.)
• Boiling point: 1219.897°C at 760 mmHg (Cal.)
• Flash point: 691.569°C (Cal.)