L-Histidyl-L-alpha-Aspartyl-L-Methionyl-L-Asparaginyl-L-Lysyl-L-Valyl-L-Leucyl-L-alpha-Aspartyl-L-Leucine
[CAS# 118850-72-9]

Identification

• Name: L-Histidyl-L-alpha-Aspartyl-L-Methionyl-L-Asparaginyl-L-Lysyl-L-Valyl-L-Leucyl-L-alpha-Aspartyl-L-Leucine
• Synonyms: (3S)-4-[[(1S)-1-[(2S)-6-Amino-2-[[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-4-Hydroxy-4-Oxo-Butanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]-4-Oxo-Butanoyl]Amino]Hexanoyl]Oxycarbonyl-3-Methyl-Butyl]Amino]-3-[[(2S)-2-[[(2S)-2-Amino-3-Methyl-Butanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-4-Oxo-Butanoic Acid; (3S)-4-[[(1S)-1-[[(2S)-6-Amino-2-[[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]Amino]-4-Hydroxy-1,4-Dioxobutyl]Amino]-4-(Methylthio)-1-Oxobutyl]Amino]-1,4-Dioxobutyl]Amino]-1-Oxohexoxy]-Oxomethyl]-3-Methylbutyl]Amino]-3-[[(2S)-2-[[(2S)-2-Amino-3-Methyl-1-Oxobutyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-4-Oxobutanoic Acid; (3S)-4-[[(1S)-1-[(2S)-6-Amino-2-[[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-4-Hydroxy-4-Keto-Butanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]-4-Keto-Butanoyl]Amino]Hexanoyl]Oxycarbonyl-3-Methyl-Butyl]Amino]-3-[[(2S)-2-[[(2S)-2-Amino-3-Methyl-Butanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₄₆H₇₇N₁₃O₁₅S
• Molecular Weight: 1084.25
• CAS Registry Number: 118850-72-9
• SMILES: [C@H](C(=O)OC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CC1=CN=C[NH]1)=O)CC(=O)O)=O)CCSC)=O)CC(=O)N)=O)CCCCN)=O)(NC([C@@H](NC([C@@H](NC([C@@H](N)C(C)C)=O)CC(C)C)=O)CC(=O)O)=O)CC(C)C
• InChI: 1S/C46H77N13O15S/c1-22(2)14-29(58-44(71)37(50)24(5)6)40(67)57-32(19-36(63)64)43(70)59-33(15-23(3)4)46(73)74-45(72)28(10-8-9-12-47)54-41(68)30(17-34(49)60)56-39(66)27(11-13-75-7)53-42(69)31(18-35(61)62)55-38(65)26(48)16-25-20-51-21-52-25/h20-24,26-33,37H,8-19,47-48,50H2,1-7H3,(H2,49,60)(H,51,52)(H,53,69)(H,54,68)(H,55,65)(H,56,66)(H,57,67)(H,58,71)(H,59,70)(H,61,62)(H,63,64)/t26-,27-,28-,29-,30-,31-,32-,33-,37-/m0/s1
• InChIKey: APVQHKQHSCNFIW-KSALCKNPSA-N

Properties

• Density: 1.303g/cm³ (Cal.)
• Boiling point: 1464.521°C at 760 mmHg (Cal.)
• Flash point: 839.512°C (Cal.)