Eremomycin, 26-methylamino carbonyl-

Structural Information

Molecular Formula

C₇₄H₉₂ClN₁₁O₂₅

SMILES

C[C@H]1[C@@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)[C@H](NC(=O)[C@H]([C@@H](C1=CC=C(O4)C=C1)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(C)N)NC7=O)C(=O)NC)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)CO)O)O)(C)N)O

InChI

InChI=1S/C74H92ClN11O25/c1-28(2)17-40(79-7)65(97)85-55-57(92)33-12-16-44(39(75)19-33)107-46-21-34-20-45(61(46)111-72-62(59(94)58(93)47(27-87)108-72)110-50-26-74(6,78)64(96)30(4)105-50)106-36-13-9-31(10-14-36)60(109-49-25-73(5,77)63(95)29(3)104-49)56-71(103)84-54(67(99)80-8)38-22-35(88)23-43(90)51(38)37-18-32(11-15-42(37)89)52(68(100)86-56)83-69(101)53(34)82-66(98)41(24-48(76)91)81-70(55)102/h9-16,18-23,28-30,40-41,47,49-50,52-60,62-64,72,79,87-90,92-96H,17,24-27,77-78H2,1-8H3,(H2,76,91)(H,80,99)(H,81,102)(H,82,98)(H,83,101)(H,84,103)(H,85,97)(H,86,100)/t29-,30-,40+,41-,47+,49-,50-,52+,53+,54-,55+,56-,57+,58+,59-,60+,62+,63-,64-,72?,73-,74-/m0/s1

InChIKey

OUSASZQWCMJMTB-BSMDWCOLSA-N

Compound name

(1S,2R,18R,19R,22S,25R,28R,40S)-2-[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-48-[(3R,4S,5S,6R)-3-[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-15-chloro-18,32,35,37-tetrahydroxy-N-methyl-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3(50),4,6(49),8(48),9,11,14,16,29(45),30,32,34(39),35,37,46-pentadecaene-40-carboxamide

Related CIDs

• CID 509529