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GtoPdb Ligand ID: 2127

Synonyms: suc[Asp6,MePhe3]SP(6-11) | suc[Asp6,MePhe3]SP(6-11))
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES CSCCC(C(=O)N)NC(=O)C(NC(=O)CNC(=O)C(N(C(=O)C(NC(=O)C(NC(=O)CCC(=O)O)CC(=O)O)Cc1ccccc1)C)Cc1ccccc1)CC(C)C
Isomeric SMILES CSCC[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC(=O)O)CC(=O)O)Cc1ccccc1)C)Cc1ccccc1)CC(C)C
InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
InChI Key HMHYXLVEFVGOPM-QKUYTOGTSA-N
Classification Click here for help
Compound class Peptide or derivative
IUPAC Name Click here for help
(3S)-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-[(4-hydroxy-4-oxobutanoyl)amino]-4-oxobutanoic acid
Synonyms Click here for help
suc[Asp6,MePhe3]SP(6-11) | suc[Asp6,MePhe3]SP(6-11))
Database Links Click here for help
BindingDB Ligand 50052524
CAS Registry No. 106128-89-6 (source: Scifinder)
ChEMBL Ligand CHEMBL106124
GtoPdb PubChem SID 135652459
PubChem CID 108147
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