Ac-SDKP   

GtoPdb Ligand ID: 10060

Synonyms: goralatide | seraspenide
Compound class: Peptide or derivative
Comment: Ac-SDKP is a synthetic tetrapeptide and a substrate for ACE, and a negative regulator of haematopoietic stem cell differentiation and is a potent antifibrotic agent. It is involved in angiogenesis and regulation of the immune response by blocking the proliferation of lymphocytes.
2D Structure

2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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SMILES / InChI / InChIKey

SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

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Canonical SMILES NCCCCC(C(=O)N1CCCC1C(=O)O)NC(=O)C(NC(=O)C(NC(=O)C)CO)CC(=O)O
Isomeric SMILES NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CO)CC(=O)O
InChI InChI=1S/C20H33N5O9/c1-11(27)22-14(10-26)18(31)24-13(9-16(28)29)17(30)23-12(5-2-3-7-21)19(32)25-8-4-6-15(25)20(33)34/h12-15,26H,2-10,21H2,1H3,(H,22,27)(H,23,30)(H,24,31)(H,28,29)(H,33,34)/t12-,13-,14-,15-/m0/s1
InChI Key HJDRXEQUFWLOGJ-AJNGGQMLSA-N
Classification
Compound class Peptide or derivative
IUPAC Name
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid
Synonyms
goralatide | seraspenide
Database Links
CAS Registry No. 120081-14-3
GtoPdb PubChem SID 375973248
PubChem CID 65938
Search Google for chemical match using the InChIKey HJDRXEQUFWLOGJ-AJNGGQMLSA-N
Search Google for chemicals with the same backbone HJDRXEQUFWLOGJ
Search UniChem for chemical match using the InChIKey HJDRXEQUFWLOGJ-AJNGGQMLSA-N
Search UniChem for chemicals with the same backbone HJDRXEQUFWLOGJ
Wikipedia goralatide