4-[[[(2R)-2-[2-(7,8-dimethoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[[(2R)-2-[2-(7,8-dimethoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[(2R)-2-[[2-(7,8-dimethoxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]-3-methylsulfanyl-propanoyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[(2R)-2-[[2-(7,8-dimethoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-(methylthio)-1-oxopropyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[(2R)-2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylsulfanylpropanoyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[(2R)-2-[[2-(2-keto-7,8-dimethoxy-4-methyl-chromen-3-yl)acetyl]amino]-3-(methylthio)propanoyl]amino]methyl]cyclohexanecarboxylic acid Formula: C26H34N2O8S MolecularWeight: 534.62176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2OC)OC)CC(=O)NC(CSC)C(=O)NCC3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2OC)OC)CC(=O)N[C@@H](CSC)C(=O)NCC3CCC(CC3)C(=O)O

InChI

InChI=1S/C26H34N2O8S/c1-14-17-9-10-20(34-2)23(35-3)22(17)36-26(33)18(14)11-21(29)28-19(13-37-4)24(30)27-12-15-5-7-16(8-6-15)25(31)32/h9-10,15-16,19H,5-8,11-13H2,1-4H3,(H,27,30)(H,28,29)(H,31,32)/t15?,16?,19-/m0/s1