Teicoplanin aglycon, 38-(decyl-carbamyl)-, 41-(4-n, n-dimethylamino-butyl amino) methyl-

Structural Information

Molecular Formula

C₇₄H₈₀Cl₂N₁₀O₁₇

SMILES

CCCCCCCCCCNC(=O)[C@@H]1C2=CC(=C(C(=C2C3=C(C=CC(=C3)[C@@H]4C(=O)N[C@@H]([C@@H](C5=CC(=C(C=C5)OC6=CC7=CC(=C6O)OC8=C(C=C(C[C@@H]9C(=O)N[C@@H](C2=CC(=CC(=C2)OC2=C(C=CC(=C2)[C@H](C(=O)N9)N)O)O)C(=O)N[C@H]7C(=O)N4)C=C8)Cl)Cl)O)C(=O)N1)O)O)CNCCCN(C)C)O

InChI

InChI=1S/C74H80Cl2N10O17/c1-4-5-6-7-8-9-10-11-22-79-70(96)63-45-34-52(90)46(35-78-21-12-23-86(2)3)66(92)58(45)44-28-38(15-17-50(44)88)60-71(97)85-64(74(100)84-63)65(91)39-16-20-54(48(76)29-39)103-57-32-41-31-56(67(57)93)102-53-19-13-36(24-47(53)75)25-49-68(94)81-61(72(98)83-62(41)73(99)82-60)40-26-42(87)33-43(27-40)101-55-30-37(14-18-51(55)89)59(77)69(95)80-49/h13-20,24,26-34,49,59-65,78,87-93H,4-12,21-23,25,35,77H2,1-3H3,(H,79,96)(H,80,95)(H,81,94)(H,82,99)(H,83,98)(H,84,100)(H,85,97)/t49-,59-,60-,61+,62-,63+,64+,65-/m1/s1

InChIKey

VBSQNODEAKOGNY-TZOUMCJZSA-N

Compound name

(1S,2R,19R,22R,34S,37R,40R,52S)-22-amino-5,15-dichloro-N-decyl-48-[[3-(dimethylamino)propylamino]methyl]-2,26,31,44,47,49,64-heptahydroxy-21,35,38,54,56,59-hexaoxo-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),42,44,46,48,50,62,65-henicosaene-52-carboxamide

Related CIDs

• CID 16133722