O4-[4-methoxy-2-[[(3S,7R,8R,9S)-9-methyl-8-(2-methylpropanoyloxy)-2,6-bis(oxidanylidene)-7-(phenylmethyl)-1,5-dioxonan-3-yl]carbamoyl]pyridin-3-yl] O1-phenyl butanedioate

Systemtic Name: O4-[4-methoxy-2-[[(3S,7R,8R,9S)-9-methyl-8-(2-methylpropanoyloxy)-2,6-bis(oxidanylidene)-7-(phenylmethyl)-1,5-dioxonan-3-yl]carbamoyl]pyridin-3-yl] O1-phenyl butanedioate Openeye Name: O4-[2-[[(3S,7R,8R,9S)-7-benzyl-9-methyl-8-(2-methylpropanoyloxy)-2,6-dioxo-1,5-dioxonan-3-yl]carbamoyl]-4-methoxy-3-pyridyl] O1-phenyl butanedioate CAS Name: butanedioic acid O4-[4-methoxy-2-[[[(3S,7R,8R,9S)-9-methyl-8-(2-methyl-1-oxopropoxy)-2,6-dioxo-7-(phenylmethyl)-1,5-dioxonan-3-yl]amino]-oxomethyl]-3-pyridinyl] ester O1-phenyl ester IUPAC Name: 4-O-[2-[[(3S,7R,8R,9S)-7-benzyl-9-methyl-8-(2-methylpropanoyloxy)-2,6-dioxo-1,5-dioxonan-3-yl]carbamoyl]-4-methoxypyridin-3-yl] 1-O-phenyl butanedioate Traditional Name: succinic acid O4-[2-[[(3S,7R,8R,9S)-7-benzyl-8-isobutyryloxy-2,6-diketo-9-methyl-1,5-dioxonan-3-yl]carbamoyl]-4-methoxy-3-pyridyl] ester O1-phenyl ester Formula: C36H38N2O12 MolecularWeight: 690.69312

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(=O)OCC(C(=O)O1)NC(=O)C2=NC=CC(=C2OC(=O)CCC(=O)OC3=CC=CC=C3)OC)CC4=CC=CC=C4)OC(=O)C(C)C

Isomeric SMILES

C[C@H]1[C@@H]([C@H](C(=O)OC[C@@H](C(=O)O1)NC(=O)C2=NC=CC(=C2OC(=O)CCC(=O)OC3=CC=CC=C3)OC)CC4=CC=CC=C4)OC(=O)C(C)C

InChI

InChI=1S/C36H38N2O12/c1-21(2)34(42)50-31-22(3)47-36(44)26(20-46-35(43)25(31)19-23-11-7-5-8-12-23)38-33(41)30-32(27(45-4)17-18-37-30)49-29(40)16-15-28(39)48-24-13-9-6-10-14-24/h5-14,17-18,21-22,25-26,31H,15-16,19-20H2,1-4H3,(H,38,41)/t22-,25+,26-,31-/m0/s1