[(1R,3S,4E,6E,9S,10E,12E,14R,15S,18S)-6,12,15,18-tetramethyl-3-oxidanyl-16,19-bis(oxidanylidene)-14-(2-oxidanylidenepropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] (2R)-2-azanylpropanoate

Systemtic Name: [(1R,3S,4E,6E,9S,10E,12E,14R,15S,18S)-6,12,15,18-tetramethyl-3-oxidanyl-16,19-bis(oxidanylidene)-14-(2-oxidanylidenepropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] (2R)-2-azanylpropanoate Openeye Name: [(1R,3S,4E,6E,9S,10E,12E,14R,15S,18S)-3-hydroxy-6,12,15,18-tetramethyl-16,19-dioxo-14-(2-oxopropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] (2R)-2-aminopropanoate CAS Name: (2R)-2-aminopropanoic acid [(1R,3S,4E,6E,9S,10E,12E,14R,15S,18S)-14-(1,2-dioxopropylamino)-3-hydroxy-6,12,15,18-tetramethyl-16,19-dioxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] ester IUPAC Name: [(1R,3S,4E,6E,9S,10E,12E,14R,15S,18S)-3-hydroxy-6,12,15,18-tetramethyl-16,19-dioxo-14-(2-oxopropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] (2R)-2-aminopropanoate Traditional Name: (2R)-2-aminopropionic acid [(1R,3S,4E,6E,9S,10E,12E,14R,15S,18S)-3-hydroxy-16,19-diketo-6,12,15,18-tetramethyl-14-pyruvamido-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] ester Formula: C28H38N2O8 MolecularWeight: 530.60992

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC(C=CC(=CCC(C=CC(=CC(C(C1=O)(C(=O)O2)C)NC(=O)C(=O)C)C)OC(=O)C(C)N)C)O

Isomeric SMILES

C[C@H]1[C@H]2C[C@@H](/C=C/C(=C/C[C@@H](/C=C/C(=C/[C@H]([C@@](C1=O)(C(=O)O2)C)NC(=O)C(=O)C)/C)OC(=O)[C@@H](C)N)/C)O

InChI

InChI=1S/C28H38N2O8/c1-15-7-10-20(32)14-22-17(3)24(33)28(6,27(36)38-22)23(30-25(34)19(5)31)13-16(2)9-12-21(11-8-15)37-26(35)18(4)29/h7-10,12-13,17-18,20-23,32H,11,14,29H2,1-6H3,(H,30,34)/b10-7+,12-9+,15-8+,16-13+/t17-,18+,20+,21-,22+,23+,28-/m0/s1