(2S,3S)-3-methyl-2-[(7-methyl-5-oxidanyl-2-oxidanylidene-4-phenyl-chromen-6-yl)methylazaniumyl]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[(7-methyl-5-oxidanyl-2-oxidanylidene-4-phenyl-chromen-6-yl)methylazaniumyl]pentanoate Openeye Name: (2S,3S)-2-[(5-hydroxy-7-methyl-2-oxo-4-phenyl-chromen-6-yl)methylammonio]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[(5-hydroxy-7-methyl-2-oxo-4-phenyl-1-benzopyran-6-yl)methylammonio]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[(5-hydroxy-7-methyl-2-oxo-4-phenylchromen-6-yl)methylazaniumyl]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(5-hydroxy-2-keto-7-methyl-4-phenyl-chromen-6-yl)methylammonio]-3-methyl-valerate Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])[NH2+]CC1=C(C2=C(C=C1C)OC(=O)C=C2C3=CC=CC=C3)O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])[NH2+]CC1=C(C2=C(C=C1C)OC(=O)C=C2C3=CC=CC=C3)O

InChI

InChI=1S/C23H25NO5/c1-4-13(2)21(23(27)28)24-12-17-14(3)10-18-20(22(17)26)16(11-19(25)29-18)15-8-6-5-7-9-15/h5-11,13,21,24,26H,4,12H2,1-3H3,(H,27,28)/t13-,21-/m0/s1