[Sar,D-Phe8,des-Arg9]bradykinin   

GtoPdb Ligand ID: 643

Synonyms: [N-methylglycine,D-Phe8,des-Arg9]bradykinin | [sarcosine,D-Phe8,des-Arg9]bradykinin | Sar[DPhe8][des-Arg9]BK
Comment: Synthetic analogue of bradykinin
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES CNCC(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)CO)Cc1ccccc1)CCCN=C(N)N
Isomeric SMILES CNCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)O)Cc1ccccc1)CO)Cc1ccccc1)CCCN=C(N)N
InChI InChI=1S/C47H66N12O11/c1-50-26-38(61)53-31(16-8-20-51-47(48)49)43(66)59-23-11-19-37(59)45(68)58-22-9-17-35(58)41(64)52-27-39(62)54-32(24-29-12-4-2-5-13-29)40(63)56-34(28-60)44(67)57-21-10-18-36(57)42(65)55-33(46(69)70)25-30-14-6-3-7-15-30/h2-7,12-15,31-37,50,60H,8-11,16-28H2,1H3,(H,52,64)(H,53,61)(H,54,62)(H,55,65)(H,56,63)(H,69,70)(H4,48,49,51)/t31-,32-,33+,34-,35-,36-,37-/m0/s1
InChI Key YIUBSFCQATYQJB-VCMDLEIESA-N
Classification
Compound class Peptide or derivative
IUPAC Name
(2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[(2-methylaminoacetyl)amino]pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Synonyms
[N-methylglycine,D-Phe8,des-Arg9]bradykinin | [sarcosine,D-Phe8,des-Arg9]bradykinin | Sar[DPhe8][des-Arg9]BK
Comments
Synthetic analogue of bradykinin
Database Links
GtoPdb PubChem SID 135652451
PubChem CID 164234
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