[3-[[(2E,4E)-5-[(4E,6E,11Z,13E,17E,19E,22E)-8,16-dimethoxy-3,12,18,21-tetramethyl-24-oxidanylidene-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methyl-hexa-2,4-dienyl]amino]-2-formamido-3-oxidanylidene-propyl] sulfate

Systemtic Name: [3-[[(2E,4E)-5-[(4E,6E,11Z,13E,17E,19E,22E)-8,16-dimethoxy-3,12,18,21-tetramethyl-24-oxidanylidene-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methyl-hexa-2,4-dienyl]amino]-2-formamido-3-oxidanylidene-propyl] sulfate Openeye Name: [3-[[(2E,4E)-5-[(4E,6E,11Z,13E,17E,19E,22E)-8,16-dimethoxy-3,12,18,21-tetramethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methyl-hexa-2,4-dienyl]amino]-2-formamido-3-oxo-propyl] sulfate CAS Name: [3-[[(2E,4E)-5-[(4E,6E,11Z,13E,17E,19E,22E)-8,16-dimethoxy-3,12,18,21-tetramethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]amino]-2-formamido-3-oxopropyl] sulfate IUPAC Name: [3-[[(2E,4E)-5-[(4E,6E,11Z,13E,17E,19E,22E)-8,16-dimethoxy-3,12,18,21-tetramethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]amino]-2-formamido-3-oxopropyl] sulfate Traditional Name: [2-formamido-3-keto-3-[[(2E,4E)-5-[(4E,6E,11Z,13E,17E,19E,22E)-24-keto-8,16-dimethoxy-3,12,18,21-tetramethyl-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methyl-hexa-2,4-dienyl]amino]propyl] sulfate Formula: C40H57N2O10S- MolecularWeight: 757.95298

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(=CC(CC=CC(=CCCC(C=CC=CC(C(OC(=O)C=C1)C(=CC=C(C)CNC(=O)C(COS(=O)(=O)[O-])NC=O)C)C)OC)C)OC)C

Isomeric SMILES

CC\1/C=C/C(=C/C(C/C=C/C(=C\CCC(/C=C/C=C/C(C(OC(=O)/C=C1)/C(=C/C=C(\C)/CNC(=O)C(COS(=O)(=O)[O-])NC=O)/C)C)OC)/C)OC)/C

InChI

InChI=1S/C40H58N2O10S/c1-29-13-11-17-35(49-7)16-10-9-15-33(5)39(52-38(44)24-22-30(2)19-20-31(3)25-36(50-8)18-12-14-29)34(6)23-21-32(4)26-41-40(45)37(42-28-43)27-51-53(46,47)48/h9-10,12-16,19-25,28,30,33,35-37,39H,11,17-18,26-27H2,1-8H3,(H,41,45)(H,42,43)(H,46,47,48)/p-1/b14-12+,15-9+,16-10+,20-19+,24-22+,29-13-,31-25+,32-21+,34-23+