(2S)-3-methyl-2-[[(2S)-2-(2-oxidanylidene-4-propyl-chromen-7-yl)oxypropanoyl]amino]butanoate

Systemtic Name: (2S)-3-methyl-2-[[(2S)-2-(2-oxidanylidene-4-propyl-chromen-7-yl)oxypropanoyl]amino]butanoate Openeye Name: (2S)-3-methyl-2-[[(2S)-2-(2-oxo-4-propyl-chromen-7-yl)oxypropanoyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2S)-1-oxo-2-[(2-oxo-4-propyl-1-benzopyran-7-yl)oxy]propyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[(2S)-2-(2-oxo-4-propylchromen-7-yl)oxypropanoyl]amino]butanoate Traditional Name: (2S)-2-[[(2S)-2-(2-keto-4-propyl-chromen-7-yl)oxypropanoyl]amino]-3-methyl-butyrate Formula: C20H24NO6- MolecularWeight: 374.40766

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(C(C)C)C(=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)O[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C20H25NO6/c1-5-6-13-9-17(22)27-16-10-14(7-8-15(13)16)26-12(4)19(23)21-18(11(2)3)20(24)25/h7-12,18H,5-6H2,1-4H3,(H,21,23)(H,24,25)/p-1/t12-,18-/m0/s1