3-(1H-indol-3-yl)-2-[[1-(2-sulfanylpentanoylamino)cyclopentyl]carbonylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[1-(2-sulfanylpentanoylamino)cyclopentyl]carbonylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[1-(2-sulfanylpentanoylamino)cyclopentanecarbonyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[[1-[(2-mercapto-1-oxopentyl)amino]cyclopentyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[1-(2-sulfanylpentanoylamino)cyclopentanecarbonyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[1-(2-mercaptopentanoylamino)cyclopentanecarbonyl]amino]propionic acid Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1(CCCC1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)S

Isomeric SMILES

CCCC(C(=O)NC1(CCCC1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)S

InChI

InChI=1S/C22H29N3O4S/c1-2-7-18(30)19(26)25-22(10-5-6-11-22)21(29)24-17(20(27)28)12-14-13-23-16-9-4-3-8-15(14)16/h3-4,8-9,13,17-18,23,30H,2,5-7,10-12H2,1H3,(H,24,29)(H,25,26)(H,27,28)