[(2R,3S,5R)-5-[2-bromanyl-3-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]indol-1-yl]-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [(2R,3S,5R)-5-[2-bromanyl-3-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]indol-1-yl]-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [(2R,3S,5R)-5-[2-bromo-3-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl]indol-1-yl]-3-(4-methylbenzoyl)oxy-tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R,3S,5R)-5-[2-bromo-3-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1-indolyl]-3-[(4-methylphenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-5-[2-bromo-3-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]indol-1-yl]-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3S,5R)-5-[2-bromo-3-[2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl]indol-1-yl]-3-p-toluoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C41H38BrN3O6 MolecularWeight: 748.66092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)N3C4=CC=CC=C4C(=C3Br)CC(=O)NCCC5=CNC6=CC=CC=C65)OC(=O)C7=CC=C(C=C7)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@@H](O2)N3C4=CC=CC=C4C(=C3Br)CC(=O)NCCC5=CNC6=CC=CC=C65)OC(=O)C7=CC=C(C=C7)C

InChI

InChI=1S/C41H38BrN3O6/c1-25-11-15-27(16-12-25)40(47)49-24-36-35(51-41(48)28-17-13-26(2)14-18-28)22-38(50-36)45-34-10-6-4-8-31(34)32(39(45)42)21-37(46)43-20-19-29-23-44-33-9-5-3-7-30(29)33/h3-18,23,35-36,38,44H,19-22,24H2,1-2H3,(H,43,46)/t35-,36+,38+/m0/s1