(2S)-2-[[(2S)-2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[[(2S)-2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[(2S)-2-(4-butyl-8-methyl-2-oxo-chromen-7-yl)oxypropanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-[(4-butyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[(2S)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-(4-butyl-2-keto-8-methyl-chromen-7-yl)oxypropanoyl]amino]-3-phenyl-propionate Formula: C26H28NO6- MolecularWeight: 450.50362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)O[C@@H](C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C26H29NO6/c1-4-5-11-19-15-23(28)33-24-16(2)22(13-12-20(19)24)32-17(3)25(29)27-21(26(30)31)14-18-9-7-6-8-10-18/h6-10,12-13,15,17,21H,4-5,11,14H2,1-3H3,(H,27,29)(H,30,31)/p-1/t17-,21-/m0/s1