Hemoglobin alpha-chain fragments (123-136)
[CAS# 125379-00-2]

Identification

• Name: Hemoglobin alpha-chain fragments (123-136)
• Synonyms: (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Aminopropanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-4-Hydroxy-4-Oxo-Butanoyl]Amino]Hexanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-3-Methyl-Butanoyl]Amino]-4-Methyl-Pentanoic Acid; (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-1-Oxopropyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-4-Hydroxy-1,4-Dioxobutyl]Amino]-1-Oxohexyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-1-Oxopropyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-4-Methylpentanoic Acid; (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(Alanylamino)-3-Hydroxy-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-4-Hydroxy-4-Keto-Butanoyl]Amino]-6-Amino-Hexanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-3-Methyl-Butanoyl]Amino]-4-Methyl-Valeric Acid
• Molecular Formula: C₆₆H₁₁₁N₁₅O₂₁
• Molecular Weight: 1450.69
• CAS Registry Number: 125379-00-2
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)C)=O)CO)=O)CC(C)C)=O)CC(=O)O)=O)CCCCN)=O)CC1=CC=CC=C1)=O)CC(C)C)=O)C)=O)CO)=O)C(C)C)=O)CO)=O)[C@@H](C)O)=O)C(C)C)=O)CC(C)C
• InChI: 1S/C66H111N15O21/c1-31(2)23-41(56(91)69-37(12)54(89)77-47(29-83)61(96)79-50(34(7)8)64(99)78-48(30-84)62(97)81-52(38(13)85)65(100)80-51(35(9)10)63(98)75-45(66(101)102)25-33(5)6)71-58(93)43(26-39-19-15-14-16-20-39)73-55(90)40(21-17-18-22-67)70-59(94)44(27-49(86)87)74-57(92)42(24-32(3)4)72-60(95)46(28-82)76-53(88)36(11)68/h14-16,19-20,31-38,40-48,50-52,82-85H,17-18,21-30,67-68H2,1-13H3,(H,69,91)(H,70,94)(H,71,93)(H,72,95)(H,73,90)(H,74,92)(H,75,98)(H,76,88)(H,77,89)(H,78,99)(H,79,96)(H,80,100)(H,81,97)(H,86,87)(H,101,102)/t36-,37-,38+,40-,41-,42-,43-,44-,45-,46-,47-,48-,50-,51-,52-/m0/s1
• InChIKey: XEXXSTXEJZBANB-CCIVCMBNSA-N

Properties

• Density: 1.26g/cm³ (Cal.)
• Boiling point: 1756.42°C at 760 mmHg (Cal.)
• Flash point: 1016.046°C (Cal.)