(2S)-3-methyl-2-[[(2R)-2-(8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl)oxypropanoyl]amino]butanoate

Systemtic Name: (2S)-3-methyl-2-[[(2R)-2-(8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl)oxypropanoyl]amino]butanoate Openeye Name: (2S)-3-methyl-2-[[(2R)-2-(8-methyl-2-oxo-4-propyl-chromen-7-yl)oxypropanoyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2R)-2-[(8-methyl-2-oxo-4-propyl-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[(2R)-2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxypropanoyl]amino]butanoate Traditional Name: (2S)-2-[[(2R)-2-(2-keto-8-methyl-4-propyl-chromen-7-yl)oxypropanoyl]amino]-3-methyl-butyrate Formula: C21H26NO6- MolecularWeight: 388.43424

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(C(C)C)C(=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2C)O[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C21H27NO6/c1-6-7-14-10-17(23)28-19-12(4)16(9-8-15(14)19)27-13(5)20(24)22-18(11(2)3)21(25)26/h8-11,13,18H,6-7H2,1-5H3,(H,22,24)(H,25,26)/p-1/t13-,18+/m1/s1