Bradykinin Acetate

Product Specifications

CAS Number

6846-03-3

Synonyms

H 1970; (S)-2-((S)-2-((S)-1-((S)-2-((S)-2-(2-((S)-1-((S)-1-((S)-2-Amino-5-guanidinopentanoyl)pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamido)acetamido)-3-phenylpropanamido)-3-hydroxypropanoyl)pyrrolidine-2-carboxamido)-3-phenylpropanamido)-5-guanidinopentanoic Acid

Hazard Statement

Not a hazardous substance according to GHS.

Smiles

CC(=O)O.N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@@H](Cc5ccccc5)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

Molecular Formula

C50 H73 N15 O11 . C2 H4 O2

Molecular Weight

1120.26

InChI

InChI=1S/C50H73N15O11.C2H4O2/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55;1-2(3)4/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57);1H3,(H,3,4)/t32-,33-,34-,35-,36-,37-,38-,39-;/m0./s1

Additionnal Information

IUPAC name: acetic acid;(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoic acid