(2S,3S,4S,5R,6R)-6-[[4-[(4-azanyl-3-chloranyl-phenyl)methyl]-2-chloranyl-phenyl]amino]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6R)-6-[[4-[(4-azanyl-3-chloranyl-phenyl)methyl]-2-chloranyl-phenyl]amino]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6R)-6-[4-[(4-amino-3-chloro-phenyl)methyl]-2-chloro-anilino]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6R)-6-[4-[(4-amino-3-chlorophenyl)methyl]-2-chloroanilino]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6R)-6-[4-[(4-amino-3-chlorophenyl)methyl]-2-chloroanilino]-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6R)-6-[4-(4-amino-3-chloro-benzyl)-2-chloro-anilino]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C19H20Cl2N2O6 MolecularWeight: 443.2779

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2=CC(=C(C=C2)NC3C(C(C(C(O3)C(=O)O)O)O)O)Cl)Cl)N

Isomeric SMILES

C1=CC(=C(C=C1CC2=CC(=C(C=C2)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)Cl)Cl)N

InChI

InChI=1S/C19H20Cl2N2O6/c20-10-6-8(1-3-12(10)22)5-9-2-4-13(11(21)7-9)23-18-16(26)14(24)15(25)17(29-18)19(27)28/h1-4,6-7,14-18,23-26H,5,22H2,(H,27,28)/t14-,15-,16+,17-,18+/m0/s1