Chem
J-GLOBAL ID:200907083745352831   Nikkaji number:J468.923B

CGP-19835A

N-(N-アセチルムラモイル)-L-Ala-D-Gln-N-[2-[[[2,3-ビス[(1-オキソヘキサデシル)オキシ]プロポキシ]ホスホニル]オキシ]エチル]-L-Ala-NH2
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: C59H109N6O19P
Molecular formula furigana: C59-H109-N6-O19-P
Molecular weight: 1237.518
InChI: InChI=1S/C59H109N6O19P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-50(69)79-40-46(83-51(70)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)41-81-85(77,78)80-38-37-65(43(4)55(61)72)58(75)47(35-36-49(60)68)64-56(73)42(3)62-57(74)44(5)82-54-52(63-45(6)67)59(76)84-48(39-66)53(54)71/h42-44,46-48,52-54,59,66,71,76H,7-41H2,1-6H3,(H2,60,68)(H2,61,72)(H,62,74)(H,63,67)(H,64,73)(H,77,78)/t42-,43-,44+,46?,47+,48+,52+,53+,54+,59?/m0/s1
InChI key: RQQYGNPTMZHFHV-SCUKUBKLSA-N
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN([C@@H](C)C(=O)N)C(=O)[C@@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(=O)C)OC(=O)CCCCCCCCCCCCCCC
Systematic name  (3):
  • N-(N-アセチルムラモイル)-L-Ala-D-Gln-N-[2-[[[2,3-ビス[(1-オキソヘキサデシル)オキシ]プロポキシ]ホスホニル]オキシ]エチル]-L-Ala-NH2
  • [2,3-ビス(ヘキサデカノイルオキシ)プロポキシ]({2-[(2R)-4-カルバモイル-N-[(1S)-1-カルバモイルエチル]-2-[(2S)-2-[(2R)-2-{[(3R,4R,5S,6R)-3-アセトアミド-2,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-4-イル]オキシ}プロパンアミド]プロパンアミド]ブタンアミド]エトキシ})ホスフィン酸
  • [2,3-bis(hexadecanoyloxy)propoxy]({2-[(2R)-4-carbamoyl-N-[(1S)-1-carbamoylethyl]-2-[(2S)-2-[(2R)-2-{[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido]propanamido]butanamido]ethoxy})phosphinic acid
Other name (2):
  • CGP-19835A
  • N-(N-Acetylmuramoyl)-L-Ala-D-Gln-N-[2-[[[2,3-bis[(1-oxohexadecyl)oxy]propoxy]phosphonyl]oxy]ethyl]-L-Ala-NH2
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