1-Nal-5,8-(thi-ala)-7-phe-bradykinin
[CAS# 119979-95-2]

Identification

• Name: 1-Nal-5,8-(thi-ala)-7-phe-bradykinin
• Synonyms: Ccris 6989; Cryptoporic Acid D
• Molecular Formula: C₄₄H₆₄O₁₄
• Molecular Weight: 816.98
• CAS Registry Number: 119979-95-2
• SMILES: [C@@H]1([C@@H](OC[C@@H]5[C@@]4([C@H]([C@@](COC(=O)[C@H]([C@@H](OC[C@@H]3[C@@]2([C@H]([C@](COC1=O)(CCC2)C)CCC3=C)C)C(=O)OC)CC(=O)O)(C)CCC4)CCC5=C)C)C(=O)OC)CC(=O)O
• InChI: 1S/C44H64O14/c1-25-11-13-31-41(3)15-9-17-43(31,5)29(25)21-55-35(39(51)53-7)27(19-33(45)46)37(49)58-24-42(4)16-10-18-44(6)30(26(2)12-14-32(42)44)22-56-36(40(52)54-8)28(20-34(47)48)38(50)57-23-41/h27-32,35-36H,1-2,9-24H2,3-8H3,(H,45,46)(H,47,48)/t27-,28-,29-,30-,31-,32-,35+,36+,41-,42-,43+,44+/m0/s1
• InChIKey: OXFMLGZWGZNFCM-UOXLEDAOSA-N