2-[(11e)-18-(2,3-dihydroxybutan-2-yl)-11-ethylidene-59-hydroxy-8,31-bis(1-hydroxyethyl)-26,40,46-trimethyl-43-methylidene-6,9,16,28,38,41,44,47-octaoxo-37-propan-2-yl-23-sulfanylidene-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,54,57-undecaen-51-yl]-1,3-thiazole-4-carboxamide

Structural Information

Molecular Formula

C₆₅H₇₉N₁₇O₁₅S₆

SMILES

C/C=C/1\C2=NC(CS2)C(=O)NC(C3=NC(=CS3)C(=S)NC4C(OC(=O)C5=NC6=C(C=CC(C6O)NC(C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)NC7(CCC(NC7C8=CSC4=N8)C9=NC(=CS9)C(=O)N)C2=NC(=CS2)C(=O)NC(C(=O)N1)C(C)O)C)C)C(C)C)C(=C5)C(C)O)C)C(C)(C(C)O)O

InChI

InChI=1S/C65H79N17O15S6/c1-12-33-58-76-39(20-100-58)54(92)81-48(64(11,96)30(10)85)61-77-41(22-102-61)57(98)80-44-29(9)97-62(95)36-17-32(27(7)83)31-13-14-34(46(86)45(31)71-36)70-42(23(2)3)55(93)69-25(5)51(89)67-24(4)50(88)68-26(6)52(90)82-65(63-78-40(21-103-63)53(91)79-43(28(8)84)56(94)73-33)16-15-35(59-75-38(19-99-59)49(66)87)72-47(65)37-18-101-60(44)74-37/h12-14,17-19,21-23,25-30,34-35,39,42-44,46-48,70,72,83-86,96H,4,15-16,20H2,1-3,5-11H3,(H2,66,87)(H,67,89)(H,68,88)(H,69,93)(H,73,94)(H,79,91)(H,80,98)(H,81,92)(H,82,90)/b33-12+

InChIKey

SRTDKHGZQCTGBY-RVDKCFQWSA-N

Compound name

2-[(11E)-18-(2,3-dihydroxybutan-2-yl)-11-ethylidene-59-hydroxy-8,31-bis(1-hydroxyethyl)-26,40,46-trimethyl-43-methylidene-6,9,16,28,38,41,44,47-octaoxo-37-propan-2-yl-23-sulfanylidene-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,54,57-undecaen-51-yl]-1,3-thiazole-4-carboxamide

Related CIDs

• CID 16132281