6-Thr-bradykinin
[CAS# 6120-63-4]

Identification

• Name: 6-Thr-bradykinin
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-Amino-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Hydroxy-Butanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propanoyl]Amino]-5-Guanidino-Pentanoic Acid; (2S)-2-[[(2S)-2-[[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[2-[[[(2S)-1-[[(2S)-1-[(2S)-2-Amino-5-Guanidino-1-Oxopentyl]-2-Pyrrolidinyl]-Oxomethyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-3-Hydroxy-1-Oxobutyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-5-Guanidinopentanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-Amino-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Hydroxy-Butanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propanoyl]Amino]-5-Guanidino-Valeric Acid
• Molecular Formula: C₅₁H₇₅N₁₅O₁₁
• Molecular Weight: 1074.25
• CAS Registry Number: 6120-63-4
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](N)CCCN=C(N)N)C(=O)N2[C@@H](CCC2)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N3[C@@H](CCC3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)[C@H](O)C)CC5=CC=CC=C5
• InChI: 1S/C51H75N15O11/c1-30(67)41(48(75)65-25-11-20-38(65)45(72)62-36(28-32-15-6-3-7-16-32)42(69)61-34(49(76)77)18-9-23-58-51(55)56)63-43(70)35(27-31-13-4-2-5-14-31)60-40(68)29-59-44(71)37-19-10-24-64(37)47(74)39-21-12-26-66(39)46(73)33(52)17-8-22-57-50(53)54/h2-7,13-16,30,33-39,41,67H,8-12,17-29,52H2,1H3,(H,59,71)(H,60,68)(H,61,69)(H,62,72)(H,63,70)(H,76,77)(H4,53,54,57)(H4,55,56,58)/t30-,33+,34+,35+,36+,37+,38+,39+,41+/m1/s1
• InChIKey: KEENLDNPNYUZAH-AVMIMLMASA-N

Properties

• Density: 1.481g/cm³ (Cal.)