JMV1431   Click here for help

GtoPdb Ligand ID: 656

Synonyms: JMV 1431 | JMV-1431
Comment: Synthetic analogue of bradykinin
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES OCC(C(=O)NC1CSc2c(N(C1=O)CC(=O)O)cccc2)NC(=O)C(Cc1cccs1)NC(=O)CNC(=O)C1CC(CN1C(=O)C1CCCN1C(=O)C(NC(=O)C(CCCN=C(N)N)N)CCCN=C(N)N)O
Isomeric SMILES OC[C@@H](C(=O)N[C@@H]1CSc2c(N(C1=O)CC(=O)O)cccc2)NC(=O)C(Cc1cccs1)NC(=O)CNC(=O)[C@@H]1CC(CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)C(CCCN=C(N)N)N)CCCN=C(N)N)O
InChI InChI=1S/C45H65N15O12S2/c46-26(8-3-13-51-44(47)48)37(66)55-27(9-4-14-52-45(49)50)41(70)58-15-5-11-32(58)43(72)59-20-24(62)17-33(59)40(69)53-19-35(63)54-28(18-25-7-6-16-73-25)38(67)56-29(22-61)39(68)57-30-23-74-34-12-2-1-10-31(34)60(42(30)71)21-36(64)65/h1-2,6-7,10,12,16,24,26-30,32-33,61-62H,3-5,8-9,11,13-15,17-23,46H2,(H,53,69)(H,54,63)(H,55,66)(H,56,67)(H,57,68)(H,64,65)(H4,47,48,51)(H4,49,50,52)/t24?,26?,27-,28?,29+,30-,32+,33+/m1/s1
InChI Key YMROZBYZFLPAPA-RONNJKQASA-N
Classification Click here for help
Compound class Peptide or derivative
Synonyms Click here for help
JMV 1431 | JMV-1431
Database Links Click here for help
BindingDB Ligand 50089312
CAS Registry No. 284037-75-8 (source: Scifinder)
ChEMBL Ligand CHEMBL408846
GtoPdb PubChem SID 135652220
PubChem CID 44316620
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Search UniChem for chemicals with the same backbone YMROZBYZFLPAPA