gamma-(Methylsulphonyl)-L-alpha-Aminobutyryl-L-alpha-Glutamyl-L-Histidyl-3-Phenyl-L-Alanyl-D-Lysyl-L-Alanine
[CAS# 50913-82-1]

Identification

• Name: gamma-(Methylsulphonyl)-L-alpha-Aminobutyryl-L-alpha-Glutamyl-L-Histidyl-3-Phenyl-L-Alanyl-D-Lysyl-L-Alanine
• Synonyms: (4S)-5-[[(1S)-2-[[(1S)-2-[[(1R)-5-Amino-1-[[(1S)-2-Hydroxy-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]Pentyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]Amino]-4-[(2-Amino-4-Methylsulfonyl-Butanoyl)Amino]-5-Oxo-Pentanoic Acid; (4S)-5-[[(1S)-2-[[(1S)-2-[[(1R)-5-Amino-1-[[[(1S)-2-Hydroxy-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-Oxomethyl]Pentyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]Amino]-4-[(2-Amino-4-Methylsulfonyl-1-Oxobutyl)Amino]-5-Oxopentanoic Acid; (4S)-5-[[(1S)-2-[[(1S)-2-[[(1R)-5-Amino-1-[[(1S)-1-(Benzyl)-2-Hydroxy-2-Keto-Ethyl]Carbamoyl]Pentyl]Amino]-1-(Benzyl)-2-Keto-Ethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]Amino]-4-[(2-Amino-4-Mesyl-Butanoyl)Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₄₀H₅₅N₉O₁₁S
• Molecular Weight: 869.99
• CAS Registry Number: 50913-82-1
• EINECS: 256-843-1
• SMILES: [C@@H](C(N[C@@H](CC1=CN=C[NH]1)C(N[C@H](C(N[C@H](CCCCN)C(=O)N[C@H](C(O)=O)CC2=CC=CC=C2)=O)CC3=CC=CC=C3)=O)=O)(CCC(O)=O)NC(=O)C(CC[S](C)(=O)=O)N
• InChI: 1S/C40H55N9O11S/c1-61(59,60)19-17-28(42)35(52)45-30(15-16-34(50)51)37(54)48-32(22-27-23-43-24-44-27)39(56)47-31(20-25-10-4-2-5-11-25)38(55)46-29(14-8-9-18-41)36(53)49-33(40(57)58)21-26-12-6-3-7-13-26/h2-7,10-13,23-24,28-33H,8-9,14-22,41-42H2,1H3,(H,43,44)(H,45,52)(H,46,55)(H,47,56)(H,48,54)(H,49,53)(H,50,51)(H,57,58)/t28?,29-,30+,31+,32+,33+/m1/s1
• InChIKey: QUCFVNGGGFLOES-IQNMQHFLSA-N

Properties

• Density: 1.35g/cm³ (Cal.)
• Boiling point: 1379.46°C at 760 mmHg (Cal.)
• Flash point: 788.069°C (Cal.)