N-[(3S,4S,4aS,5S,6S)-3-[bis(chloranyl)methyl]-3-methyl-1,5,6-tris(oxidanyl)-8-oxidanylidene-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]-2-acetamido-propanamide

Systemtic Name: N-[(3S,4S,4aS,5S,6S)-3-[bis(chloranyl)methyl]-3-methyl-1,5,6-tris(oxidanyl)-8-oxidanylidene-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]-2-acetamido-propanamide Openeye Name: 2-acetamido-N-[(3S,4S,4aS,5S,6S)-3-(dichloromethyl)-1,5,6-trihydroxy-3-methyl-8-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]propanamide CAS Name: 2-acetamido-N-[(3S,4S,4aS,5S,6S)-3-(dichloromethyl)-1,5,6-trihydroxy-3-methyl-8-oxo-4a,5,6,7-tetrahydro-4H-2-benzopyran-4-yl]propanamide IUPAC Name: 2-acetamido-N-[(3S,4S,4aS,5S,6S)-3-(dichloromethyl)-1,5,6-trihydroxy-3-methyl-8-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]propanamide Traditional Name: 2-acetamido-N-[(3S,4S,4aS,5S,6S)-3-(dichloromethyl)-1,5,6-trihydroxy-8-keto-3-methyl-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]propionamide Formula: C16H22Cl2N2O7 MolecularWeight: 425.26108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C2C(C(CC(=O)C2=C(OC1(C)C(Cl)Cl)O)O)O)NC(=O)C

Isomeric SMILES

CC(C(=O)N[C@H]1[C@H]2[C@@H]([C@H](CC(=O)C2=C(O[C@]1(C)C(Cl)Cl)O)O)O)NC(=O)C

InChI

InChI=1S/C16H22Cl2N2O7/c1-5(19-6(2)21)13(25)20-12-10-9(7(22)4-8(23)11(10)24)14(26)27-16(12,3)15(17)18/h5,8,10-12,15,23-24,26H,4H2,1-3H3,(H,19,21)(H,20,25)/t5?,8-,10+,11+,12-,16-/m0/s1