Chem
J-GLOBAL ID:200907049862449389   Nikkaji number:J712.990D

Balhimycin V

バルヒマイシンV
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C73H84Cl2N10O26
Molecular formula furigana: C73-H84-CL2-N10-O26
Molecular weight: 1588.420
InChI: InChI=1S/C73H84Cl2N10O26/c1-26(2)14-38(79-7)64(96)84-54-56(91)30-9-12-42(36(74)16-30)106-44-18-32-19-45(60(44)111-71-61(58(93)57(92)46(25-86)108-71)110-49-24-73(6,78)63(95)28(4)105-49)107-43-13-10-31(17-37(43)75)59(109-48-23-72(5,77)62(94)27(3)104-48)55-69(101)83-53(70(102)103)35-20-33(87)21-41(89)50(35)34-15-29(8-11-40(34)88)51(66(98)85-55)82-67(99)52(32)81-65(97)39(22-47(76)90)80-68(54)100/h8-13,15-21,26-28,38-39,46,48-49,51-59,61,71,79,86-89,91-93H,14,22-25,77-78H2,1-7H3,(H2,76,90)(H,80,100)(H,81,97)(H,82,99)(H,83,101)(H,84,96)(H,85,98)(H,102,103)/t27-,28-,38+,39-,46+,48-,49-,51+,52+,53?,54+,55-,56+,57+,58-,59+,61+,71-,72-,73-/m0/s1
InChI key: ZFSBLQHDWPOXFI-YINGKIBLSA-N
SMILES: CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O[C@H]5C[C@](C)(N)C(=O)[C@H](C)O5)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(=O)N)NC1=O)c1ccc(O)c(c1)c1c(O)cc(O)cc1[C@H](NC5=O)C(=O)O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)C(=O)[C@H](C)O1)c(Cl)c2
Systematic name  (3):
  • 2′-O-デス(3-アミノ-3-C-メチル-2,3,6-トリデオキシ-α-L-lyxo-ヘキソピラノシル)-2′-O,22-O-ビス[[(2R)-4-アミノ-4β,6α-ジメチル-5-オキソテトラヒドロ-2H-ピラン]-2β-イル]バンコマイシン
  • (1S,2R,18R,19R,22S,25R,28R,40S)-2-{[(2R,4S,6S)-4-アミノ-4,6-ジメチル-5-オキソオキサン-2-イル]オキシ}-48-{[(2S,3R,4S,5S,6R)-3-{[(2R,4S,6S)-4-アミノ-4,6-ジメチル-5-オキソオキサン-2-イル]オキシ}-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-22-(カルバモイルメチル)-47,49-ジクロロ-18,32,35,37-テトラヒドロキシ-19-[(2R)-4-メチル-2-(メチルアミノ)ペンタンアミド]-20,23,26,42,44-ペンタオキソ-7,13-ジオキサ-21,24,27,41,43-ペンタアザオクタシクロ[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]ペンタコンタ-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-ペンタデカエン-40-カルボン酸
  • (1S,2R,18R,19R,22S,25R,28R,40S)-2-{[(2R,4S,6S)-4-amino-4,6-dimethyl-5-oxooxan-2-yl]oxy}-48-{[(2S,3R,4S,5S,6R)-3-{[(2R,4S,6S)-4-amino-4,6-dimethyl-5-oxooxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-(carbamoylmethyl)-47,49-dichloro-18,32,35,37-tetrahydroxy-19-[(2R)-4-methyl-2-(methylamino)pentanamido]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylic acid
Other name (3):
  • バルヒマイシンV
  • Balhimycin V
  • 2′-O-Des(3-amino-3-C-methyl-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)-2′-O,22-O-bis[[(2R)-4-amino-4β,6α-dimethyl-5-oxotetrahydro-2H-pyran]-2β-yl]vancomycin
Thsaurus map:

Return to Previous Page