(4S,7R,8S,9R,13Z)-1,5,5,7,9,13-hexamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,8-bis(oxidanyl)-1-azacyclohexadec-13-ene-2,6-dione

Systemtic Name: (4S,7R,8S,9R,13Z)-1,5,5,7,9,13-hexamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,8-bis(oxidanyl)-1-azacyclohexadec-13-ene-2,6-dione Openeye Name: (4S,7R,8S,9R,13Z)-4,8-dihydroxy-1,5,5,7,9,13-hexamethyl-16-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-azacyclohexadec-13-ene-2,6-dione CAS Name: (4S,7R,8S,9R,13Z)-4,8-dihydroxy-1,5,5,7,9,13-hexamethyl-16-[(E)-1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-1-azacyclohexadec-13-ene-2,6-dione IUPAC Name: (4S,7R,8S,9R,13Z)-4,8-dihydroxy-1,5,5,7,9,13-hexamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-azacyclohexadec-13-ene-2,6-dione Traditional Name: (4S,7R,8S,9R,13Z)-4,8-dihydroxy-1,5,5,7,9,13-hexamethyl-16-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-azacyclohexadec-13-ene-2,6-quinone Formula: C28H44N2O4S MolecularWeight: 504.72496

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=CCC(N(C(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C)C(=CC2=CSC(=N2)C)C)C

Isomeric SMILES

C[C@@H]1CCC/C(=C\CC(N(C(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)C)/C(=C/C2=CSC(=N2)C)/C)/C

InChI

InChI=1S/C28H44N2O4S/c1-17-10-9-11-18(2)26(33)20(4)27(34)28(6,7)24(31)15-25(32)30(8)23(13-12-17)19(3)14-22-16-35-21(5)29-22/h12,14,16,18,20,23-24,26,31,33H,9-11,13,15H2,1-8H3/b17-12-,19-14+/t18-,20-,23?,24+,26+/m1/s1