(2S,3R)-2-[[(2R)-2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]-3-methyl-pentanoate

Systemtic Name: (2S,3R)-2-[[(2R)-2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]-3-methyl-pentanoate Openeye Name: (2S,3R)-2-[[(2R)-2-(4-butyl-8-methyl-2-oxo-chromen-7-yl)oxypropanoyl]amino]-3-methyl-pentanoate CAS Name: (2S,3R)-2-[[(2R)-2-[(4-butyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-3-methylpentanoate IUPAC Name: (2S,3R)-2-[[(2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]-3-methylpentanoate Traditional Name: (2S,3R)-2-[[(2R)-2-(4-butyl-2-keto-8-methyl-chromen-7-yl)oxypropanoyl]amino]-3-methyl-valerate Formula: C23H30NO6- MolecularWeight: 416.4874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO6/c1-6-8-9-16-12-19(25)30-21-14(4)18(11-10-17(16)21)29-15(5)22(26)24-20(23(27)28)13(3)7-2/h10-13,15,20H,6-9H2,1-5H3,(H,24,26)(H,27,28)/p-1/t13-,15-,20+/m1/s1