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

Systemtic Name: (2S,3R)-2-[[(2R)-2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]-3-methyl-pentanoate Openeye Name: (2S,3R)-2-[[(2R)-2-(4-butyl-2-oxo-chromen-7-yl)oxypropanoyl]amino]-3-methyl-pentanoate CAS Name: (2S,3R)-2-[[(2R)-2-[(4-butyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-3-methylpentanoate IUPAC Name: (2S,3R)-2-[[(2R)-2-(4-butyl-2-oxochromen-7-yl)oxypropanoyl]amino]-3-methylpentanoate Traditional Name: (2S,3R)-2-[[(2R)-2-(4-butyl-2-keto-chromen-7-yl)oxypropanoyl]amino]-3-methyl-valerate Formula: C22H28NO6- MolecularWeight: 402.46082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(C(C)CC)C(=O)[O-]

Isomeric SMILES

CCCCC1=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/C22H29NO6/c1-5-7-8-15-11-19(24)29-18-12-16(9-10-17(15)18)28-14(4)21(25)23-20(22(26)27)13(3)6-2/h9-14,20H,5-8H2,1-4H3,(H,23,25)(H,26,27)/p-1/t13-,14-,20+/m1/s1