3-[[4-[1-(6-cyclopentylsulfanylnaphthalen-2-yl)butyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[1-(6-cyclopentylsulfanylnaphthalen-2-yl)butyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[1-(6-cyclopentylsulfanyl-2-naphthyl)butyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[1-[6-(cyclopentylthio)-2-naphthalenyl]butyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[1-(6-cyclopentylsulfanylnaphthalen-2-yl)butyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[1-[6-(cyclopentylthio)-2-naphthyl]butyl]benzoyl]amino]propionic acid Formula: C29H33NO3S MolecularWeight: 475.64222

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)C(=O)NCCC(=O)O)C2=CC3=C(C=C2)C=C(C=C3)SC4CCCC4

Isomeric SMILES

CCCC(C1=CC=C(C=C1)C(=O)NCCC(=O)O)C2=CC3=C(C=C2)C=C(C=C3)SC4CCCC4

InChI

InChI=1S/C29H33NO3S/c1-2-5-27(20-8-10-21(11-9-20)29(33)30-17-16-28(31)32)24-13-12-23-19-26(15-14-22(23)18-24)34-25-6-3-4-7-25/h8-15,18-19,25,27H,2-7,16-17H2,1H3,(H,30,33)(H,31,32)