L-Tyrosylglycylglycyl-L-phenylalanyl-L-leucylglycyl-L-prolyl-L-lysyl-2-methylalanyl-L-leucyl-2-methylalanyl-L-lysyl-2-methylalanyl-L-leucyl-2-methylalanine methyl ester
[CAS# 117397-68-9]

Identification

• Name: L-Tyrosylglycylglycyl-L-phenylalanyl-L-leucylglycyl-L-prolyl-L-lysyl-2-methylalanyl-L-leucyl-2-methylalanyl-L-lysyl-2-methylalanyl-L-leucyl-2-methylalanine methyl ester
• Synonyms: Methyl (2S,5S)-9-Amino-2-[[(2S)-6-Amino-2-[(2-Amino-2-Methyl-Propanoyl)Amino]Hexanoyl]-[(2S)-2-[(2-Amino-2-Methyl-Propanoyl)Amino]-4-Methyl-Pentanoyl]Amino]-5-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Acetyl]Pyrrolidine-2-Carbonyl]Amino]-3-[(2S)-2-[(2-Amino-2-Methyl-Propanoyl)Amino]-4-Methyl-Pentanoyl]-2-Methyl-4-Oxo-Nonanoate; (2S,5S)-9-Amino-2-[[(2S)-6-Amino-2-[(2-Amino-2-Methyl-1-Oxopropyl)Amino]-1-Oxohexyl]-[(2S)-2-[(2-Amino-2-Methyl-1-Oxopropyl)Amino]-4-Methyl-1-Oxopentyl]Amino]-5-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxoethyl]Amino]-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-1-Oxoethyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-[(2S)-2-[(2-Amino-2-Methyl-1-Oxopropyl)Amino]-4-Methyl-1-Oxopentyl]-2-Methyl-4-Oxononanoic Acid Methyl Ester; (2S,5S)-9-Amino-2-[[(2S)-6-Amino-2-[(2-Amino-2-Methyl-Propanoyl)Amino]Hexanoyl]-[(2S)-2-[(2-Amino-2-Methyl-Propanoyl)Amino]-4-Methyl-Pentanoyl]Amino]-5-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Acetyl]Pyrrolidine-2-Carbonyl]Amino]-3-[(2S)-2-[(2-Amino-2-Methyl-Propanoyl)Amino]-4-Methyl-Pentanoyl]-4-Keto-2-Methyl-Pelargonic Acid Methyl Ester
• Molecular Formula: C₇₆H₁₂₃N₁₇O₁₇
• Molecular Weight: 1546.91
• CAS Registry Number: 117397-68-9
• SMILES: [C@@](C(=O)OC)(N(C([C@@H](NC(C(N)(C)C)=O)CC(C)C)=O)C([C@@H](NC(C(N)(C)C)=O)CCCCN)=O)(C(C([C@@H](NC(C(N)(C)C)=O)CC(C)C)=O)C([C@@H](NC([C@H]1N(CCC1)C(CNC([C@@H](NC([C@@H](NC(CNC(CNC([C@@H](N)CC2=CC=C(O)C=C2)=O)=O)=O)CC3=CC=CC=C3)=O)CC(C)C)=O)=O)=O)CCCCN)=O)C
• InChI: 1S/C76H123N17O17/c1-43(2)35-52(90-70(107)74(9,10)81)62(99)60(76(13,72(109)110-14)93(68(105)55(37-45(5)6)91-71(108)75(11,12)82)67(104)51(26-19-21-33-78)89-69(106)73(7,8)80)61(98)50(25-18-20-32-77)87-66(103)56-27-22-34-92(56)59(97)42-85-64(101)53(36-44(3)4)88-65(102)54(39-46-23-16-15-17-24-46)86-58(96)41-83-57(95)40-84-63(100)49(79)38-47-28-30-48(94)31-29-47/h15-17,23-24,28-31,43-45,49-56,60,94H,18-22,25-27,32-42,77-82H2,1-14H3,(H,83,95)(H,84,100)(H,85,101)(H,86,96)(H,87,103)(H,88,102)(H,89,106)(H,90,107)(H,91,108)/t49-,50-,51-,52-,53-,54-,55-,56-,60?,76-/m0/s1
• InChIKey: LWYXJXNKEAHGIC-RVLSCETKSA-N

Properties

• Density: 1.22g/cm³ (Cal.)
• Boiling point: 1635.788°C at 760 mmHg (Cal.)
• Flash point: 943.091°C (Cal.)