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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO6/c1-5-7-14-10-18(23)28-17-11-15(8-9-16(14)17)27-13(4)20(24)22-19(21(25)26)12(3)6-2/h8-13,19H,5-7H2,1-4H3,(H,22,24)(H,25,26)/p-1/t12-,13-,19+/m1/s1