1-Amino-4-[(5-{[(2S)-1-{[(1S,2R,3S,5S,6S,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^10,14.0^3,5]hexacosa-10(26),11,13,16,1 8-pentaen-6-yl]oxy}-1-oxo-2-propanyl](methyl)amino}-2-methyl-5-oxo-2-pentanyl)disulfanyl]-1-oxo-2-butanesulfonic acid (non-preferred name)

More details:

• Systematic name

  1-Amino-4-[(5-{[(2S)-1-{[(1S,2R,3S,5S,6S,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,1 8-pentaen-6-yl]oxy}-1-oxo-2-propanyl](methyl)amino}-2-methyl-5-oxo-2-pentanyl)disulfanyl]-1-oxo-2-butanesulfonic acid (non-preferred name)

• SMILES

  C[C@@H]1[C@@H]2C[C@]([C@@H](C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCC(C(=O)N)S(=O)(=O)O)C)C)OC)(NC(=O)O2)O

• Std. InChi

  InChI=1S/C42H61ClN4O14S3/c1-23-12-11-13-31(58-10)42(53)22-29(59-39(52)45-42)24(2)36-41(6,61-36)32(21-34(49)47(8)27-19-26(18-23)20-28(57-9)35(27)43)60-38(51)25(3)46(7)33(48)14-16-40(4,5)63-62-17-15-30(37(44)50)64(54,55)56/h11-13,19-20,24-25,29-32,36,53H,14-18,21-22H2,1-10H3,(H2,44,50)(H,45,52)(H,54,55,56)/b13-11+,23-12-/t24-,25+,29+,30?,31-,32+,36+,41+,42+/m1/s1

• Std. InChIKey

  ZOHXWSHGANNQGO-GGEPYJLJSA-N

• Cite this record

  CSID:64873336, http://www.chemspider.com/Chemical-Structure.64873336.html (accessed 07:23, Apr 16, 2024)