3-(1-benzothiophen-3-yl)-2-[[1-[(4-methyl-2-sulfanyl-pentanoyl)amino]cyclopentyl]carbonylamino]propanoic acid

Systemtic Name: 3-(1-benzothiophen-3-yl)-2-[[1-[(4-methyl-2-sulfanyl-pentanoyl)amino]cyclopentyl]carbonylamino]propanoic acid Openeye Name: 3-(benzothiophen-3-yl)-2-[[1-[(4-methyl-2-sulfanyl-pentanoyl)amino]cyclopentanecarbonyl]amino]propanoic acid CAS Name: 3-(1-benzothiophen-3-yl)-2-[[[1-[(2-mercapto-4-methyl-1-oxopentyl)amino]cyclopentyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1-benzothiophen-3-yl)-2-[[1-[(4-methyl-2-sulfanylpentanoyl)amino]cyclopentanecarbonyl]amino]propanoic acid Traditional Name: 3-(benzothiophen-3-yl)-2-[[1-[(2-mercapto-4-methyl-pentanoyl)amino]cyclopentanecarbonyl]amino]propionic acid Formula: C23H30N2O4S2 MolecularWeight: 462.6253

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1(CCCC1)C(=O)NC(CC2=CSC3=CC=CC=C32)C(=O)O)S

Isomeric SMILES

CC(C)CC(C(=O)NC1(CCCC1)C(=O)NC(CC2=CSC3=CC=CC=C32)C(=O)O)S

InChI

InChI=1S/C23H30N2O4S2/c1-14(2)11-18(30)20(26)25-23(9-5-6-10-23)22(29)24-17(21(27)28)12-15-13-31-19-8-4-3-7-16(15)19/h3-4,7-8,13-14,17-18,30H,5-6,9-12H2,1-2H3,(H,24,29)(H,25,26)(H,27,28)