[1,1,1-tris(chloranyl)-2-methyl-propan-2-yl] N-[(3S,6Z,8E,11S,15R,17S)-9,11,17-trimethyl-3-[(E)-2-methyl-3-oxidanylidene-prop-1-enyl]-5,13-bis(oxidanylidene)-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraen-15-yl]carbamate

Systemtic Name: [1,1,1-tris(chloranyl)-2-methyl-propan-2-yl] N-[(3S,6Z,8E,11S,15R,17S)-9,11,17-trimethyl-3-[(E)-2-methyl-3-oxidanylidene-prop-1-enyl]-5,13-bis(oxidanylidene)-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraen-15-yl]carbamate Openeye Name: (2,2,2-trichloro-1,1-dimethyl-ethyl) N-[(3S,6Z,8E,11S,15R,17S)-9,11,17-trimethyl-3-[(E)-2-methyl-3-oxo-prop-1-enyl]-5,13-dioxo-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraen-15-yl]carbamate CAS Name: N-[(3S,6Z,8E,11S,15R,17S)-9,11,17-trimethyl-3-[(E)-2-methyl-3-oxoprop-1-enyl]-5,13-dioxo-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]heneicosa-1(21),6,8,18-tetraen-15-yl]carbamic acid (1,1,1-trichloro-2-methylpropan-2-yl) ester IUPAC Name: (1,1,1-trichloro-2-methylpropan-2-yl) N-[(3S,6Z,8E,11S,15R,17S)-9,11,17-trimethyl-3-[(E)-2-methyl-3-oxoprop-1-enyl]-5,13-dioxo-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraen-15-yl]carbamate Traditional Name: N-[(3S,6Z,8E,11S,15R,17S)-5,13-diketo-3-[(E)-3-keto-2-methyl-prop-1-enyl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]heneicosa-1(21),6,8,18-tetraen-15-yl]carbamic acid (2,2,2-trichloro-1,1-dimethyl-ethyl) ester Formula: C29H37Cl3N2O7S MolecularWeight: 664.03728

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(=O)OC(CC(=CC=CC(=O)OC(CC2=NC1=CS2)C=C(C)C=O)C)C)NC(=O)OC(C)(C)C(Cl)(Cl)Cl

Isomeric SMILES

C[C@H]1C[C@H](CC(=O)O[C@H](C/C(=C/C=C\C(=O)O[C@@H](CC2=NC1=CS2)/C=C(\C)/C=O)/C)C)NC(=O)OC(C)(C)C(Cl)(Cl)Cl

InChI

InChI=1S/C29H37Cl3N2O7S/c1-17-8-7-9-25(36)40-22(11-18(2)15-35)14-24-34-23(16-42-24)19(3)12-21(13-26(37)39-20(4)10-17)33-27(38)41-28(5,6)29(30,31)32/h7-9,11,15-16,19-22H,10,12-14H2,1-6H3,(H,33,38)/b9-7-,17-8+,18-11+/t19-,20-,21+,22+/m0/s1