1-[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]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

Systemtic Name: 1-[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]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea Openeye Name: 1-[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]-3-tetralin-1-yl-urea CAS Name: 1-[2-[4-[[4-hydroxy-2-methyl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]phenyl]methyl]phenyl]ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea IUPAC Name: 1-[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]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea Traditional Name: 1-[2-[4-[4-hydroxy-2-methyl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]benzyl]phenyl]ethyl]-3-tetralin-1-yl-urea Formula: C33H40N2O7 MolecularWeight: 576.6799

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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)NC4CCCC5=CC=CC=C45

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)NC4CCCC5=CC=CC=C45

InChI

InChI=1S/C33H40N2O7/c1-19-15-27(37)25(32-31(40)30(39)29(38)28(18-36)42-32)17-23(19)16-21-11-9-20(10-12-21)13-14-34-33(41)35-26-8-4-6-22-5-2-3-7-24(22)26/h2-3,5,7,9-12,15,17,26,28-32,36-40H,4,6,8,13-14,16,18H2,1H3,(H2,34,35,41)/t26?,28-,29-,30+,31-,32+/m1/s1