Chemical Compound

(2S)-N-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-18,39-bis[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl]-15,21,33,36,45-pentakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecaazacyclononatetracontan-48-yl]-2-[(2Z,4E)-7-methylocta-2,4-dienamido]butanediamide

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(2S)-N-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-18,39-bis[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl]-15,21,33,36,45-pentakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecaazacyclononatetracontan-48-yl]-2-[(2Z,4E)-7-methylocta-2,4-dienamido]butanediamide 结构式
Primary record

(2S)-N-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-18,39-bis[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl]-15,21,33,36,45-pentakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecaazacyclononatetracontan-48-yl]-2-[(2Z,4E)-7-methylocta-2,4-dienamido]butanediamide

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177541323
SMILES
C[C@@H]1C(=O)N[C@H](C(=O)O[C@@H](C(C(=O)NC(C(=O)N[C@@H](C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1)CC(C)C)C2=CC=C(C=C2)O)[C@@H](C)O)C3=CC=C(C=C3)O)CCCN)CC4=CC=CC=C4)[C@H](C)O)C5=CC=C(C=C5)O)C6=CC=C(C=C6)O)[C@@H](C)O)CCCN)C7=CC=C(C=C7)O)NC(=O)[C@H](CC(=O)N)NC(=O)/C=C\C=C\CC(C)C)C(=O)N)C8=CC(=C(C=C8)O)Cl
Canonical SMILES
CC(C)C/C=C/C=C\C(=O)N[C@@H](CC(N)=O)C(=O)NC1C(=O)NC(c2ccc(O)cc2)C(=O)N[C@H](CCCN)C(=O)NC([C@@H](C)O)C(=O)N[C@@H](c2ccc(O)cc2)C(=O)NC(c2ccc(O)cc2)C(=O)N[C@@H]([C@H](C)O)C(=O)NC(Cc2ccccc2)C(=O)N[C@H](CCCN)C(=O)N[C@@H](c2ccc(O)cc2)C(=O)NC([C@@H](C)O)C(=O)N[C@@H](c2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](c2ccc(O)c(Cl)c2)C(=O)O[C@@H]1C(N)=O

名称与同义词

  • Ramoplanin A2 aglycon
  • J1.741.524G
  • (2S)-N-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-18,39-bis[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl]-15,21,33,36,45-pentakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecaazacyclononatetracontan-48-yl]-2-[(2Z,4E)-7-methylocta-2,4-dienamido]butanediamide
  • Cyclo[D-Orn-4-hydroxy-L-phenyl Gly-D-aThr-4-hydroxy-L-phenyl Gly-Gly-L-Leu-D-Ala-3-chloro-4-hydroxy-L-phenyl Gly-N-[N2-[(2Z,4E)-1-oxo-7-methyl-2,4-octadienyl]-L-asparaginyl]-4-oxo-4-amino-L-Thr*-4-hydroxy-D-phenyl Gly-D-Orn-D-aThr-4-hydroxy-L-phenyl Gly-4-hydroxy-D-phenyl Gly-L-aThr-L-Phe-]