Vancomycin, 26-decarboxy-26-((decylamino)carbonyl)-

Structural Information

Molecular Formula

C₇₆H₉₆Cl₂N₁₀O₂₃

SMILES

CCCCCCCCCCNC(=O)[C@@H]1C2=C(C(=CC(=C2)O)O)C3=C(C=CC(=C3)[C@@H]4C(=O)N[C@@H]([C@@H](C5=CC(=C(C=C5)OC6=C(C7=CC(=C6)[C@H](C(=O)N4)NC(=O)[C@@H](NC(=O)[C@@H](C(C8=CC(=C(O7)C=C8)Cl)O)NC(=O)[C@@H](CC(C)C)NC)CC(=O)N)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]2C[C@]([C@@H]([C@@H](O2)C)O)(C)N)Cl)O)C(=O)N1)O

InChI

InChI=1S/C76H96Cl2N10O23/c1-7-8-9-10-11-12-13-14-21-82-70(101)58-41-28-39(90)29-47(92)55(41)40-23-35(15-18-46(40)91)56-71(102)88-60(74(105)86-58)62(95)37-17-20-49(43(78)25-37)108-51-27-38-26-50(65(51)111-75-66(64(97)63(96)52(32-89)109-75)110-54-31-76(5,80)67(98)34(4)106-54)107-48-19-16-36(24-42(48)77)61(94)59(87-68(99)44(81-6)22-33(2)3)73(104)83-45(30-53(79)93)69(100)84-57(38)72(103)85-56/h15-20,23-29,33-34,44-45,52,54,56-64,66-67,75,81,89-92,94-98H,7-14,21-22,30-32,80H2,1-6H3,(H2,79,93)(H,82,101)(H,83,104)(H,84,100)(H,85,103)(H,86,105)(H,87,99)(H,88,102)/t34-,44+,45-,52+,54-,56+,57+,58-,59+,60-,61?,62+,63+,64-,66+,67+,75-,76-/m0/s1

InChIKey

UUNRJROOHGEQSP-MUCWUSEMSA-N

Compound name

(1S,2R,19R,22S,25R,28R,40S)-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,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)-5,15-dichloro-N-decyl-2,18,32,35,37-pentahydroxy-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-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxamide

Related CIDs

• CID 509533