N-[[4-[[(2S)-6-azanyl-2-(naphthalen-1-ylcarbonylamino)hexanoyl]amino]phenyl]methyl]-N-cyclohexyl-furan-2-carboxamide

Systemtic Name: N-[[4-[[(2S)-6-azanyl-2-(naphthalen-1-ylcarbonylamino)hexanoyl]amino]phenyl]methyl]-N-cyclohexyl-furan-2-carboxamide Openeye Name: N-[[4-[[(2S)-6-amino-2-(naphthalene-1-carbonylamino)hexanoyl]amino]phenyl]methyl]-N-cyclohexyl-furan-2-carboxamide CAS Name: N-[[4-[[(2S)-6-amino-2-[[1-naphthalenyl(oxo)methyl]amino]-1-oxohexyl]amino]phenyl]methyl]-N-cyclohexyl-2-furancarboxamide IUPAC Name: N-[[4-[[(2S)-6-amino-2-(naphthalene-1-carbonylamino)hexanoyl]amino]phenyl]methyl]-N-cyclohexylfuran-2-carboxamide Traditional Name: N-[4-[[(2S)-6-amino-2-(1-naphthoylamino)hexanoyl]amino]benzyl]-N-cyclohexyl-2-furamide Formula: C35H40N4O4 MolecularWeight: 580.7165

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC=C(C=C2)NC(=O)C(CCCCN)NC(=O)C3=CC=CC4=CC=CC=C43)C(=O)C5=CC=CO5

Isomeric SMILES

C1CCC(CC1)N(CC2=CC=C(C=C2)NC(=O)[C@H](CCCCN)NC(=O)C3=CC=CC4=CC=CC=C43)C(=O)C5=CC=CO5

InChI

InChI=1S/C35H40N4O4/c36-22-7-6-16-31(38-33(40)30-15-8-11-26-10-4-5-14-29(26)30)34(41)37-27-20-18-25(19-21-27)24-39(28-12-2-1-3-13-28)35(42)32-17-9-23-43-32/h4-5,8-11,14-15,17-21,23,28,31H,1-3,6-7,12-13,16,22,24,36H2,(H,37,41)(H,38,40)/t31-/m0/s1