Cyclobradykinin
[CAS# 3522-46-1]

Identification

• Name: Cyclobradykinin
• Synonyms: (2S)-1-[(2S)-1-[(2S)-2-[[(E,2S)-2-Amino-5-Guanidino-Pent-4-Enoyl]Amino]-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]-N-[2-[[(1S)-2-[[(1S)-2-[(2S)-2-[[(1S)-1-Formyl-2-Phenyl-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-1-(Hydroxymethyl)-2-Oxo-Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-Ethyl]Pyrrolidine-2-Carboxamide; (2S)-1-[[(2S)-1-[(2S)-2-[[(E,2S)-2-Amino-5-Guanidino-1-Oxopent-4-Enyl]Amino]-5-Guanidino-1-Oxopentyl]-2-Pyrrolidinyl]-Oxomethyl]-N-[2-[[(1S)-2-[[(1S)-2-[(2S)-2-[[[(1S)-1-Formyl-2-Phenylethyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-1-(Hydroxymethyl)-2-Oxoethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxoethyl]-2-Pyrrolidinecarboxamide; (2S)-1-[(2S)-1-[(2S)-2-[[(E,2S)-2-Amino-5-Guanidino-Pent-4-Enoyl]Amino]-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]-N-[2-[[(1S)-1-(Benzyl)-2-[[(1S)-2-[(2S)-2-[[(1S)-1-(Benzyl)-2-Keto-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Keto-1-Methylol-Ethyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₅₀H₇₁N₁₅O₁₀
• Molecular Weight: 1042.21
• CAS Registry Number: 3522-46-1
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](N)C\C=C\N=C(N)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)CO)CC5=CC=CC=C5
• InChI: 1S/C50H71N15O10/c51-34(16-7-21-56-49(52)53)42(69)61-35(17-8-22-57-50(54)55)46(73)65-25-11-20-40(65)48(75)64-24-9-18-38(64)44(71)58-28-41(68)60-36(27-32-14-5-2-6-15-32)43(70)62-37(30-67)47(74)63-23-10-19-39(63)45(72)59-33(29-66)26-31-12-3-1-4-13-31/h1-7,12-15,21,29,33-40,67H,8-11,16-20,22-28,30,51H2,(H,58,71)(H,59,72)(H,60,68)(H,61,69)(H,62,70)(H4,52,53,56)(H4,54,55,57)/b21-7+/t33-,34-,35-,36-,37-,38-,39-,40-/m0/s1
• InChIKey: PGKNEOGUKJKPGH-WPZZPZKASA-N

Properties

• Density: 1.462g/cm³ (Cal.)