3-(1H-indol-3-yl)-2-[[1-[(3-methyl-2-sulfanyl-butanoyl)amino]cyclopentyl]carbonylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[1-[(3-methyl-2-sulfanyl-butanoyl)amino]cyclopentyl]carbonylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[1-[(3-methyl-2-sulfanyl-butanoyl)amino]cyclopentanecarbonyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[[1-[(2-mercapto-3-methyl-1-oxobutyl)amino]cyclopentyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[1-[(3-methyl-2-sulfanylbutanoyl)amino]cyclopentanecarbonyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[1-[(2-mercapto-3-methyl-butanoyl)amino]cyclopentanecarbonyl]amino]propionic acid Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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