(4S,7R,8S,9S,13Z,16S)-7-butyl-5,5,9,13-tetramethyl-4,8-bis(oxidanyl)-16-[(E)-1-pyridin-2-ylprop-1-en-2-yl]-1-azacyclohexadec-13-ene-2,6-dione

Systemtic Name: (4S,7R,8S,9S,13Z,16S)-7-butyl-5,5,9,13-tetramethyl-4,8-bis(oxidanyl)-16-[(E)-1-pyridin-2-ylprop-1-en-2-yl]-1-azacyclohexadec-13-ene-2,6-dione Openeye Name: (4S,7R,8S,9S,13Z,16S)-7-butyl-4,8-dihydroxy-5,5,9,13-tetramethyl-16-[(E)-1-methyl-2-(2-pyridyl)vinyl]-1-azacyclohexadec-13-ene-2,6-dione CAS Name: (4S,7R,8S,9S,13Z,16S)-7-butyl-4,8-dihydroxy-5,5,9,13-tetramethyl-16-[(E)-1-(2-pyridinyl)prop-1-en-2-yl]-1-azacyclohexadec-13-ene-2,6-dione IUPAC Name: (4S,7R,8S,9S,13Z,16S)-7-butyl-4,8-dihydroxy-5,5,9,13-tetramethyl-16-[(E)-1-pyridin-2-ylprop-1-en-2-yl]-1-azacyclohexadec-13-ene-2,6-dione Traditional Name: (4S,7R,8S,9S,13Z,16S)-7-butyl-4,8-dihydroxy-5,5,9,13-tetramethyl-16-[(E)-1-methyl-2-(2-pyridyl)vinyl]-1-azacyclohexadec-13-ene-2,6-quinone Formula: C31H48N2O4 MolecularWeight: 512.72382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C(CCCC(=CCC(NC(=O)CC(C(C1=O)(C)C)O)C(=CC2=CC=CC=N2)C)C)C)O

Isomeric SMILES

CCCC[C@@H]1[C@H]([C@H](CCC/C(=C\C[C@H](NC(=O)C[C@@H](C(C1=O)(C)C)O)/C(=C/C2=CC=CC=N2)/C)/C)C)O

InChI

InChI=1S/C31H48N2O4/c1-7-8-15-25-29(36)22(3)13-11-12-21(2)16-17-26(23(4)19-24-14-9-10-18-32-24)33-28(35)20-27(34)31(5,6)30(25)37/h9-10,14,16,18-19,22,25-27,29,34,36H,7-8,11-13,15,17,20H2,1-6H3,(H,33,35)/b21-16-,23-19+/t22-,25+,26-,27-,29-/m0/s1