(3S,6R,9S,12S,14E,16R,18S)-6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]-7,9,12,14,16,18-hexamethyl-3-[(1R)-1-oxidanylethyl]-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone

Systemtic Name: (3S,6R,9S,12S,14E,16R,18S)-6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]-7,9,12,14,16,18-hexamethyl-3-[(1R)-1-oxidanylethyl]-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone Openeye Name: (3S,6R,9S,12S,14E,16R,18S)-3-[(1R)-1-hydroxyethyl]-6-[(4-hydroxy-3-iodo-phenyl)methyl]-7,9,12,14,16,18-hexamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone CAS Name: (3S,6R,9S,12S,14E,16R,18S)-3-[(1R)-1-hydroxyethyl]-6-[(4-hydroxy-3-iodophenyl)methyl]-7,9,12,14,16,18-hexamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone IUPAC Name: (3S,6R,9S,12S,14E,16R,18S)-3-[(1R)-1-hydroxyethyl]-6-[(4-hydroxy-3-iodophenyl)methyl]-7,9,12,14,16,18-hexamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone Traditional Name: (3S,6R,9S,12S,14E,16R,18S)-3-[(1R)-1-hydroxyethyl]-6-(4-hydroxy-3-iodo-benzyl)-7,9,12,14,16,18-hexamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-diquinone Formula: C29H42IN3O7 MolecularWeight: 671.56415

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(OC(=O)C(NC(=O)C(N(C(=O)C(NC(=O)C(CC(=C1)C)C)C)C)CC2=CC(=C(C=C2)O)I)C(C)O)C

Isomeric SMILES

C[C@@H]\1C[C@@H](OC(=O)[C@@H](NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@H](C/C(=C1)/C)C)C)C)CC2=CC(=C(C=C2)O)I)[C@@H](C)O)C

InChI

InChI=1S/C29H42IN3O7/c1-15-10-16(2)12-18(4)40-29(39)25(20(6)34)32-27(37)23(14-21-8-9-24(35)22(30)13-21)33(7)28(38)19(5)31-26(36)17(3)11-15/h8-10,13,16-20,23,25,34-35H,11-12,14H2,1-7H3,(H,31,36)(H,32,37)/b15-10+/t16-,17-,18-,19-,20+,23+,25-/m0/s1