(4S,7R,8S,9S,13R,14R,16S)-13-azido-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,8,14-tris(oxidanyl)-1-oxacyclohexadecane-2,6-dione

Systemtic Name: (4S,7R,8S,9S,13R,14R,16S)-13-azido-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,8,14-tris(oxidanyl)-1-oxacyclohexadecane-2,6-dione Openeye Name: (4S,7R,8S,9S,13R,14R,16S)-13-azido-4,8,14-trihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-oxacyclohexadecane-2,6-dione CAS Name: (4S,7R,8S,9S,13R,14R,16S)-13-azido-4,8,14-trihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-oxacyclohexadecane-2,6-dione IUPAC Name: (4S,7R,8S,9S,13R,14R,16S)-13-azido-4,8,14-trihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-oxacyclohexadecane-2,6-dione Traditional Name: (4S,7R,8S,9S,13R,14R,16S)-13-azido-4,8,14-trihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-oxacyclohexadecane-2,6-quinone Formula: C26H40N4O6S MolecularWeight: 536.684

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C(CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC2=CSC(=N2)C)C)O)N=[N+]=[N-]

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H](C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C2=CSC(=N2)C)/C)O)N=[N+]=[N-]

InChI

InChI=1S/C26H40N4O6S/c1-14-8-7-9-19(29-30-27)20(31)11-21(15(2)10-18-13-37-17(4)28-18)36-23(33)12-22(32)26(5,6)25(35)16(3)24(14)34/h10,13-14,16,19-22,24,31-32,34H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19+,20+,21-,22-,24-/m0/s1