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

Systemtic Name: 3-[[4-[1-(6-propan-2-ylsulfanylnaphthalen-2-yl)butyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[1-(6-isopropylsulfanyl-2-naphthyl)butyl]benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[4-[1-[6-(propan-2-ylthio)-2-naphthalenyl]butyl]phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[[4-[1-(6-propan-2-ylsulfanylnaphthalen-2-yl)butyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[1-[6-(isopropylthio)-2-naphthyl]butyl]benzoyl]amino]propionic acid Formula: C27H31NO3S MolecularWeight: 449.60494

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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)SC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO3S/c1-4-5-25(19-6-8-20(9-7-19)27(31)28-15-14-26(29)30)23-11-10-22-17-24(32-18(2)3)13-12-21(22)16-23/h6-13,16-18,25H,4-5,14-15H2,1-3H3,(H,28,31)(H,29,30)