1-[[3,5-bis(chloranyl)phenyl]methyl]-3-[2-[4-[[5-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-methyl-4-oxidanyl-phenyl]methyl]phenyl]ethyl]urea

Systemtic Name: 1-[[3,5-bis(chloranyl)phenyl]methyl]-3-[2-[4-[[5-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-methyl-4-oxidanyl-phenyl]methyl]phenyl]ethyl]urea Openeye Name: 1-[(3,5-dichlorophenyl)methyl]-3-[2-[4-[[4-hydroxy-2-methyl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]phenyl]methyl]phenyl]ethyl]urea CAS Name: 1-[(3,5-dichlorophenyl)methyl]-3-[2-[4-[[4-hydroxy-2-methyl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]phenyl]methyl]phenyl]ethyl]urea IUPAC Name: 1-[(3,5-dichlorophenyl)methyl]-3-[2-[4-[[4-hydroxy-2-methyl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]ethyl]urea Traditional Name: 1-(3,5-dichlorobenzyl)-3-[2-[4-[4-hydroxy-2-methyl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]benzyl]phenyl]ethyl]urea Formula: C30H34Cl2N2O7 MolecularWeight: 605.50616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)O)C2C(C(C(C(O2)CO)O)O)O)CC3=CC=C(C=C3)CCNC(=O)NCC4=CC(=CC(=C4)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C(=C1)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(C=C3)CCNC(=O)NCC4=CC(=CC(=C4)Cl)Cl

InChI

InChI=1S/C30H34Cl2N2O7/c1-16-8-24(36)23(29-28(39)27(38)26(37)25(15-35)41-29)12-20(16)9-18-4-2-17(3-5-18)6-7-33-30(40)34-14-19-10-21(31)13-22(32)11-19/h2-5,8,10-13,25-29,35-39H,6-7,9,14-15H2,1H3,(H2,33,34,40)/t25-,26-,27+,28-,29+/m1/s1