3-[4-[[2,6-bis(chloranyl)phenyl]carbonylamino]phenyl]-2-[[1-[2-(methylcarbamoylamino)ethyl]cyclopentyl]carbothioylamino]propanoic acid

Systemtic Name: 3-[4-[[2,6-bis(chloranyl)phenyl]carbonylamino]phenyl]-2-[[1-[2-(methylcarbamoylamino)ethyl]cyclopentyl]carbothioylamino]propanoic acid Openeye Name: 3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-2-[[1-[2-(methylcarbamoylamino)ethyl]cyclopentanecarbothioyl]amino]propanoic acid CAS Name: 3-[4-[[(2,6-dichlorophenyl)-oxomethyl]amino]phenyl]-2-[[[1-[2-(methylcarbamoylamino)ethyl]cyclopentyl]-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-2-[[1-[2-(methylcarbamoylamino)ethyl]cyclopentanecarbothioyl]amino]propanoic acid Traditional Name: 3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-2-[[1-[2-(methylcarbamoylamino)ethyl]cyclopentanecarbothioyl]amino]propionic acid Formula: C26H30Cl2N4O4S MolecularWeight: 565.5118

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NCCC1(CCCC1)C(=S)NC(CC2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3Cl)Cl)C(=O)O

Isomeric SMILES

CNC(=O)NCCC1(CCCC1)C(=S)NC(CC2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3Cl)Cl)C(=O)O

InChI

InChI=1S/C26H30Cl2N4O4S/c1-29-25(36)30-14-13-26(11-2-3-12-26)24(37)32-20(23(34)35)15-16-7-9-17(10-8-16)31-22(33)21-18(27)5-4-6-19(21)28/h4-10,20H,2-3,11-15H2,1H3,(H,31,33)(H,32,37)(H,34,35)(H2,29,30,36)