5-(3-(2-Thienyl)-L-alanine)-7-D-phenylalanine-8-(3-(2-thienyl)-L-alanine)bradykinin
[CAS# 97825-07-5]

Identification

• Name: 5-(3-(2-Thienyl)-L-alanine)-7-D-phenylalanine-8-(3-(2-thienyl)-L-alanine)bradykinin
• Synonyms: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-Amino-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-(2-Thienyl)Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-(2-T
• Molecular Formula: C₅₀H₇₁N₁₅O₁₁S₂
• Molecular Weight: 1122.32
• CAS Registry Number: 97825-07-5
• 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](CC3=CC=CS3)C(=O)N[C@H](C(=O)N[C@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC5=CC=CS5)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)CO
• InChI: 1S/C50H71N15O11S2/c51-32(14-4-18-56-49(52)53)46(73)65-21-7-17-39(65)47(74)64-20-6-16-38(64)45(72)58-27-40(67)59-35(25-30-12-8-22-77-30)42(69)63-37(28-66)44(71)61-34(24-29-10-2-1-3-11-29)41(68)62-36(26-31-13-9-23-78-31)43(70)60-33(48(75)76)15-5-19-57-50(54
• InChIKey: JRBHAUUWUHNRJJ-INZKOXSASA-N

Properties

• Density: 1.531g/cm³ (Cal.)