(2S)-N-(cyclohexylmethyl)-2-[2-(7-methoxy-2-oxidanylidene-chromen-4-yl)ethanoylamino]-3-oxidanyl-propanamide

Systemtic Name: (2S)-N-(cyclohexylmethyl)-2-[2-(7-methoxy-2-oxidanylidene-chromen-4-yl)ethanoylamino]-3-oxidanyl-propanamide Openeye Name: (2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[[2-(7-methoxy-2-oxo-chromen-4-yl)acetyl]amino]propanamide CAS Name: (2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[[2-(7-methoxy-2-oxo-1-benzopyran-4-yl)-1-oxoethyl]amino]propanamide IUPAC Name: (2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide Traditional Name: (2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[[2-(2-keto-7-methoxy-chromen-4-yl)acetyl]amino]propionamide Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)NC(CO)C(=O)NCC3CCCCC3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)N[C@@H](CO)C(=O)NCC3CCCCC3

InChI

InChI=1S/C22H28N2O6/c1-29-16-7-8-17-15(10-21(27)30-19(17)11-16)9-20(26)24-18(13-25)22(28)23-12-14-5-3-2-4-6-14/h7-8,10-11,14,18,25H,2-6,9,12-13H2,1H3,(H,23,28)(H,24,26)/t18-/m0/s1