Balticidin b

Structural Information

Molecular Formula

C₇₅H₁₁₈ClN₁₁O₃₅

SMILES

CCCC(CCCCCCCCCC(C(C(=O)NC(C(C)O)C(=O)NC1C(OC(=O)[C@H](NC(=O)C(N(C(=O)CNC(=O)[C@@H](NC(=O)/C(=C/C)/NC(=O)C(NC(=O)C(NC1=O)C(C)O)C(C2=CC=C(C=C2)O)O)CCC(=O)N)C)C(C)O[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)CCC(=O)N)C)O)O[C@H]4[C@H]([C@@H]([C@@H](CO4)O)O[C@@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)C(=O)O)O)O)O)O)Cl

InChI

InChI=1S/C75H118ClN11O35/c1-8-17-36(76)18-15-13-11-10-12-14-16-19-42(119-73-60(104)61(41(92)30-116-73)121-75-59(103)56(100)57(101)62(122-75)71(113)114)54(98)70(112)84-48(32(4)90)65(107)85-49-33(5)117-72(115)40(25-27-45(78)94)82-69(111)51(34(6)118-74-58(102)55(99)53(97)43(29-88)120-74)87(7)46(95)28-79-63(105)39(24-26-44(77)93)81-64(106)38(9-2)80-68(110)50(52(96)35-20-22-37(91)23-21-35)86-66(108)47(31(3)89)83-67(49)109/h9,20-23,31-34,36,39-43,47-62,73-75,88-92,96-104H,8,10-19,24-30H2,1-7H3,(H2,77,93)(H2,78,94)(H,79,105)(H,80,110)(H,81,106)(H,82,111)(H,83,109)(H,84,112)(H,85,107)(H,86,108)(H,113,114)/b38-9-/t31?,32?,33?,34?,36?,39-,40+,41+,42?,43-,47?,48?,49?,50?,51?,52?,53-,54?,55+,56+,57-,58+,59-,60-,61+,62+,73-,74-,75-/m0/s1

InChIKey

WIWYCHBUTVJEHX-IDUONOJXSA-N

Compound name

(2R,3S,4R,5S,6S)-6-[(2S,3S,4R,5R)-2-[1-[[1-[[(3R,12S,15Z)-3,12-bis(3-amino-3-oxopropyl)-15-ethylidene-21-(1-hydroxyethyl)-18-[hydroxy-(4-hydroxyphenyl)methyl]-7,25-dimethyl-2,5,8,11,14,17,20,23-octaoxo-6-[1-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-13-chloro-2-hydroxy-1-oxohexadecan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Related CIDs

• CID 146683688