L-Histidyl-L-lysyl-L-threonyl-L-a-aspartyl-L-seryl-L-phenylalanyl-L-valylglycyl-L-leucyl-L-Methionine
[CAS# 102989-34-4]

Identification

• Name: L-Histidyl-L-lysyl-L-threonyl-L-a-aspartyl-L-seryl-L-phenylalanyl-L-valylglycyl-L-leucyl-L-Methionine
• Synonyms: (3S)-3-[[(2S,3R)-2-[[(2S)-6-Amino-2-[[(2S)-2-Amino-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]Hexanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-4-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-1-[[(1S)-1-Carboxy-3-Methylsulfanyl-Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-(Hydroxymethyl)-2-Oxo-Ethyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-[[(2S,3R)-2-[[(2S)-6-Amino-2-[[(2S)-2-Amino-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]Amino]-1-Oxohexyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-4-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[[2-[[(1S)-1-[[[(1S)-1-Carboxy-3-(Methylthio)Propyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-(Hydroxymethyl)-2-Oxoethyl]Amino]-4-Oxobutanoic Acid; (3S)-3-[[(2S,3R)-2-[[(2S)-6-Amino-2-[[(2S)-2-Amino-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]Hexanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-4-[[(1S)-2-[[(1S)-1-(Benzyl)-2-[[(1S)-1-[[2-[[(1S)-1-[[(1S)-1-Carboxy-3-(Methylthio)Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-1-Methylol-Ethyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₅₀H₇₉N₁₃O₁₅S
• Molecular Weight: 1134.31
• CAS Registry Number: 102989-34-4
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CN=C[NH]1)CCCCN)(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCSC)CC(C)C)C(C)C)CC2=CC=CC=C2)CO)CC(=O)O)[C@H](O)C
• InChI: 1S/C50H79N13O15S/c1-26(2)18-34(44(71)58-33(50(77)78)15-17-79-6)56-38(66)23-54-48(75)40(27(3)4)62-46(73)35(19-29-12-8-7-9-13-29)59-47(74)37(24-64)61-45(72)36(21-39(67)68)60-49(76)41(28(5)65)63-43(70)32(14-10-11-16-51)57-42(69)31(52)20-30-22-53-25-55-30/h7-9,12-13,22,25-28,31-37,40-41,64-65H,10-11,14-21,23-24,51-52H2,1-6H3,(H,53,55)(H,54,75)(H,56,66)(H,57,69)(H,58,71)(H,59,74)(H,60,76)(H,61,72)(H,62,73)(H,63,70)(H,67,68)(H,77,78)/t28-,31+,32+,33+,34+,35+,36+,37+,40+,41+/m1/s1
• InChIKey: CHLXODSFZFRYJS-JPQUDPSNSA-N

Properties

• Density: 1.316g/cm³ (Cal.)
• Boiling point: 1601.043°C at 760 mmHg (Cal.)
• Flash point: 922.077°C (Cal.)