Tyrosyl-alanyl-isoleucyl-valyl-alanyl-arginyl-prolyl-arginyl-phenylalanine
[CAS# 144527-25-3]

Identification

• Name: Tyrosyl-alanyl-isoleucyl-valyl-alanyl-arginyl-prolyl-arginyl-phenylalanine
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]Propanoyl]Amino]-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Guanidino-Pentanoyl]Amino]-3-Phenyl-Propanoic Acid; (2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-3-Methyl-1-Oxopentyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-1-Oxopropyl]Amino]-5-Guanidino-1-Oxopentyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-5-Guanidino-1-Oxopentyl]Amino]-3-Phenylpropanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]Propanoyl]Amino]-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Guanidino-Pentanoyl]Amino]-3-Phenyl-Propionic Acid
• Molecular Formula: C₅₂H₈₁N₁₅O₁₁
• Molecular Weight: 1092.31
• CAS Registry Number: 144527-25-3
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)C)[C@H](CC)C)C(C)C)C)CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(O)=O
• InChI: 1S/C52H81N15O11/c1-7-29(4)41(66-43(70)31(6)60-44(71)35(53)26-33-19-21-34(68)22-20-33)48(75)65-40(28(2)3)47(74)61-30(5)42(69)63-37(17-12-24-59-52(56)57)49(76)67-25-13-18-39(67)46(73)62-36(16-11-23-58-51(54)55)45(72)64-38(50(77)78)27-32-14-9-8-10-15-32/h8-10,14-15,19-22,28-31,35-41,68H,7,11-13,16-18,23-27,53H2,1-6H3,(H,60,71)(H,61,74)(H,62,73)(H,63,69)(H,64,72)(H,65,75)(H,66,70)(H,77,78)(H4,54,55,58)(H4,56,57,59)/t29-,30-,31-,35-,36-,37-,38-,39-,40-,41-/m0/s1
• InChIKey: BDUCNKVXJBDQDF-NKDPYFLXSA-N

Properties

• Density: 1.397g/cm³ (Cal.)