Acetyl-arg-3-hyp-7-phe-8-leu-bradykinin
[CAS# 135705-19-0]

Identification

• Name: Acetyl-arg-3-hyp-7-phe-8-leu-bradykinin
• Synonyms: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-Acetamido-5-Guanidino-Pentanoyl]Amino]-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]-4-Hydroxy-Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-5-Guanidino-Pentanoic Acid; (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[[(2S,4R)-1-[[(2S)-1-[(2S)-2-[[(2R)-2-Acetamido-5-Guanidino-1-Oxopentyl]Amino]-5-Guanidino-1-Oxopentyl]-2-Pyrrolidinyl]-Oxomethyl]-4-Hydroxy-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-5-Guanidinopentanoic Acid; (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-Acetamido-5-Guanidino-Pentanoyl]Amino]-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]-4-Hydroxy-Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-5-Guanidino-Valeric Acid
• Molecular Formula: C₅₉H₉₁N₁₉O₁₄
• Molecular Weight: 1290.49
• CAS Registry Number: 135705-19-0
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@H](NC(=O)C)CCCN=C(N)N)CCCN=C(N)N)C(=O)N2[C@@H](C[C@@H](O)C2)C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)CC4=CC=CC=C4)CO
• InChI: 1S/C59H91N19O14/c1-33(2)26-41(49(84)73-40(56(91)92)20-12-24-68-59(64)65)74-51(86)43(28-36-16-8-5-9-17-36)75-52(87)44(32-79)76-50(85)42(27-35-14-6-4-7-15-35)71-47(82)30-69-53(88)46-29-37(81)31-78(46)55(90)45-21-13-25-77(45)54(89)39(19-11-23-67-58(62)63)72-48(83)38(70-34(3)80)18-10-22-66-57(60)61/h4-9,14-17,33,37-46,79,81H,10-13,18-32H2,1-3H3,(H,69,88)(H,70,80)(H,71,82)(H,72,83)(H,73,84)(H,74,86)(H,75,87)(H,76,85)(H,91,92)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)/t37-,38-,39+,40+,41+,42+,43-,44+,45+,46+/m1/s1
• InChIKey: ANVBLZDJWGEFNH-TVGOGCAISA-N

Properties

• Density: 1.473g/cm³ (Cal.)