Teicoplanin a 2

Structural Information

Molecular Formula

C₉₀H₉₉Cl₂N₉O₃₄

SMILES

CCCCC/C=C/CCC(=O)NC1C(C(C(OC1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)C(C6C(=O)NC(C7=C(C(=CC(=C7)O)OC8C(C(C(C(O8)CO)O)O)O)C9=C(C=CC(=C9)C(C(=O)N6)NC(=O)C4NC(=O)C1C2=CC(=C(C(=C2)OC2=C(C=CC(=C2)C(C(=O)NC(C(C2=CC(=C(O3)C=C2)Cl)O)C(=O)N1)N)O)C)O)O)C(=O)OC)OC1C(C(C(C(O1)CO)O)O)NC(=O)C)Cl)CO)O)O

InChI

InChI=1S/C90H99Cl2N9O34/c1-5-6-7-8-9-10-11-12-60(110)95-69-76(116)73(113)58(32-103)132-89(69)135-80-55-27-41-28-56(80)128-51-20-16-39(23-46(51)92)79(134-88-68(94-35(3)105)75(115)72(112)57(31-102)131-88)70-86(124)99-66(87(125)126-4)44-29-42(106)30-54(130-90-78(118)77(117)74(114)59(33-104)133-90)61(44)43-21-37(14-17-47(43)107)63(82(120)101-70)96-84(122)65(41)97-83(121)64-40-24-49(109)34(2)52(26-40)129-53-25-36(13-18-48(53)108)62(93)81(119)100-67(85(123)98-64)71(111)38-15-19-50(127-55)45(91)22-38/h9-10,13-30,57-59,62-79,88-90,102-104,106-109,111-118H,5-8,11-12,31-33,93H2,1-4H3,(H,94,105)(H,95,110)(H,96,122)(H,97,121)(H,98,123)(H,99,124)(H,100,119)(H,101,120)/b10-9+

InChIKey

LCTCUBQFWLTHNS-MDZDMXLPSA-N

Compound name

methyl 2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-amino-5,15-dichloro-64-[3-[[(E)-dec-4-enoyl]amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18,26,31,44,49-pentahydroxy-30-methyl-21,35,38,54,56,59-hexaoxo-47-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylate

Related CIDs

• CID 16132315