4-{[(4-Carboxybutyl){2-[(18S,25S,35S)-35-[(S)-hydroxy(phenyl)methyl]-25-isopropyl-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-3,13,20,27,37-pentathia-7,17,24,31,3 4,39,40,41,42,43-decaazaheptacyclo[34.2.1.1^2,5.1^12,15.1^19,22.1^26,29.0^6,11]tritetraconta-1(38),2(43),4,6,8,10,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl}carbamoyl]o xy}cyclohexanecarboxylic acid

More details:

• Systematic name

  4-{[(4-Carboxybutyl){2-[(18S,25S,35S)-35-[(S)-hydroxy(phenyl)methyl]-25-isopropyl-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-3,13,20,27,37-pentathia-7,17,24,31,3 4,39,40,41,42,43-decaazaheptacyclo[34.2.1.1~2,5~.1~12,15~.1~19,22~.1~26,29~.0~6,11~]tritetraconta-1(38),2(43),4,6,8,10,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl}carbamoyl]o xy}cyclohexanecarboxylic acid

• SMILES

  CC1SC2=NC=1C(=O)N[C@@H](C(C)C)C1=NC(=C(COC)S1)C(=O)NCC(=O)N[C@@H]([C@@H](O)C1C=CC=CC=1)C1=NC(=CS1)C1=NC(=CS1)C1N=C(C=CC=1C1=NC(=CS1)C(=O)N[C@H]2CC(=O)NC)C1=NC(=CS1)N(CCCCC(O)=O)C(=O)OC1CCC(CC1)C(O)=O

• Std. InChi

  InChI=1S/C60H63N13O13S6/c1-28(2)44-58-72-47(39(92-58)23-85-5)51(80)62-22-42(75)69-48(49(78)30-11-7-6-8-12-30)57-67-38(26-89-57)55-65-36(24-88-55)46-33(53-66-37(25-87-53)50(79)64-35(21-41(74)61-4)56-71-45(29(3)91-56)52(81)70-44)18-19-34(63-46)54-68-40(27-90-54)73(20-10-9-13-43(76)77)60(84)86-32-16-14-31(15-17-32)59(82)83/h6-8,11-12,18-19,24-28,31-32,35,44,48-49,78H,9-10,13-17,20-23H2,1-5H3,(H,61,74)(H,62,80)(H,64,79)(H,69,75)(H,70,81)(H,76,77)(H,82,83)/t31?,32?,35-,44-,48-,49-/m0/s1

• Std. InChIKey

  GNLYKLDXQZHYTR-QWSGWXDSSA-N

• Cite this record

  CSID:88297919, http://www.chemspider.com/Chemical-Structure.88297919.html (accessed 15:15, Jun 3, 2024)