Tyrosyl-prolyl-tryptophyl-threonyl-glutaminyl-arginyl-phenylalanine
[CAS# 152685-85-3]

Identification

• Name: Tyrosyl-prolyl-tryptophyl-threonyl-glutaminyl-arginyl-phenylalanine
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-5-Oxo-Pentanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-3-Phenyl-Propanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S,3R)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-1,5-Dioxopentyl]Amino]-5-Guanidino-1-Oxopentyl]Amino]-3-Phenylpropanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-5-Keto-Pentanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-3-Phenyl-Propionic Acid
• Molecular Formula: C₄₉H₆₄N₁₂O₁₁
• Molecular Weight: 997.12
• CAS Registry Number: 152685-85-3
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](N)CC2=CC=C(O)C=C2)C(=O)N[C@@H](CC3=C[NH]C4=CC=CC=C34)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC5=CC=CC=C5)C(O)=O
• InChI: 1S/C49H64N12O11/c1-27(62)41(46(69)57-36(19-20-40(51)64)43(66)56-35(13-7-21-54-49(52)53)42(65)59-38(48(71)72)24-28-9-3-2-4-10-28)60-44(67)37(25-30-26-55-34-12-6-5-11-32(30)34)58-45(68)39-14-8-22-61(39)47(70)33(50)23-29-15-17-31(63)18-16-29/h2-6,9-12,15-18,26-27,33,35-39,41,55,62-63H,7-8,13-14,19-25,50H2,1H3,(H2,51,64)(H,56,66)(H,57,69)(H,58,68)(H,59,65)(H,60,67)(H,71,72)(H4,52,53,54)/t27-,33+,35+,36+,37+,38+,39+,41+/m1/s1
• InChIKey: PAJVBIPSWDYNHN-JMJBHNTOSA-N

Properties

• Density: 1.477g/cm³ (Cal.)