(2R)-2-azanyl-3-[[2-methyl-4,6-bis(oxidanylidene)-2-phenethyl-1,3-dioxan-5-yl]-phenyl-methyl]sulfanyl-propanoic acid

Systemtic Name: (2R)-2-azanyl-3-[[2-methyl-4,6-bis(oxidanylidene)-2-phenethyl-1,3-dioxan-5-yl]-phenyl-methyl]sulfanyl-propanoic acid Openeye Name: (2R)-2-amino-3-[(2-methyl-4,6-dioxo-2-phenethyl-1,3-dioxan-5-yl)-phenyl-methyl]sulfanyl-propanoic acid CAS Name: (2R)-2-amino-3-[[(2-methyl-4,6-dioxo-2-phenethyl-1,3-dioxan-5-yl)-phenylmethyl]thio]propanoic acid IUPAC Name: (2R)-2-amino-3-[(2-methyl-4,6-dioxo-2-phenethyl-1,3-dioxan-5-yl)-phenylmethyl]sulfanylpropanoic acid Traditional Name: (2R)-2-amino-3-[[(4,6-diketo-2-methyl-2-phenethyl-1,3-dioxan-5-yl)-phenyl-methyl]thio]propionic acid Formula: C23H25NO6S MolecularWeight: 443.5127

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)C(C2=CC=CC=C2)SCC(C(=O)O)N)CCC3=CC=CC=C3

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)C(C2=CC=CC=C2)SC[C@@H](C(=O)O)N)CCC3=CC=CC=C3

InChI

InChI=1S/C23H25NO6S/c1-23(13-12-15-8-4-2-5-9-15)29-21(27)18(22(28)30-23)19(16-10-6-3-7-11-16)31-14-17(24)20(25)26/h2-11,17-19H,12-14,24H2,1H3,(H,25,26)/t17-,18?,19?,23?/m0/s1