3-[[6-(naphthalen-2-ylcarbonylamino)-2-thiophen-2-yl-hexanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[6-(naphthalen-2-ylcarbonylamino)-2-thiophen-2-yl-hexanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[6-(naphthalene-2-carbonylamino)-2-(2-thienyl)hexanoyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[6-[[2-naphthalenyl(oxo)methyl]amino]-1-oxo-2-thiophen-2-ylhexyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[6-(naphthalene-2-carbonylamino)-2-thiophen-2-ylhexanoyl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[6-(2-naphthoylamino)-2-(2-thienyl)hexanoyl]amino]butyric acid Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)NCCCCC(C3=CC=CS3)C(=O)NC(CC(=O)O)C=O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)NCCCCC(C3=CC=CS3)C(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C25H26N2O5S/c28-16-20(15-23(29)30)27-25(32)21(22-9-5-13-33-22)8-3-4-12-26-24(31)19-11-10-17-6-1-2-7-18(17)14-19/h1-2,5-7,9-11,13-14,16,20-21H,3-4,8,12,15H2,(H,26,31)(H,27,32)(H,29,30)