4-[2-(2-naphthalen-1-ylpropanoylamino)-4-[(thiophen-2-ylcarbonylamino)methyl]phenyl]butanoic acid

Systemtic Name: 4-[2-(2-naphthalen-1-ylpropanoylamino)-4-[(thiophen-2-ylcarbonylamino)methyl]phenyl]butanoic acid Openeye Name: 4-[2-[2-(1-naphthyl)propanoylamino]-4-[(thiophene-2-carbonylamino)methyl]phenyl]butanoic acid CAS Name: 4-[2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]-4-[[[oxo(thiophen-2-yl)methyl]amino]methyl]phenyl]butanoic acid IUPAC Name: 4-[2-(2-naphthalen-1-ylpropanoylamino)-4-[(thiophene-2-carbonylamino)methyl]phenyl]butanoic acid Traditional Name: 4-[2-[2-(1-naphthyl)propanoylamino]-4-[(2-thenoylamino)methyl]phenyl]butyric acid Formula: C29H28N2O4S MolecularWeight: 500.60862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)CNC(=O)C4=CC=CS4)CCCC(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)CNC(=O)C4=CC=CS4)CCCC(=O)O

InChI

InChI=1S/C29H28N2O4S/c1-19(23-11-4-8-21-7-2-3-10-24(21)23)28(34)31-25-17-20(14-15-22(25)9-5-13-27(32)33)18-30-29(35)26-12-6-16-36-26/h2-4,6-8,10-12,14-17,19H,5,9,13,18H2,1H3,(H,30,35)(H,31,34)(H,32,33)