Chemical Compound

(2S,3S,4R)-N-[(4R,7R,13S,16R,19S,25aS)-16-[(1S)-1-hydroxyethyl]-19-[(4-hydroxyphenyl)(methoxy)methyl]-7-(methoxymethyl)-13-methyl-1,5,8,11,14,17,20-heptaoxo-3-(propan-2-yl)-tetracosahydropyrido[2,1-c]1-oxa-4,7,10,13,16,19-hexaazacyclodocosan-4-yl]-2-{2-[(2R,3S)-3-hydroxy-2-{2-[(4Z,6E)-3-hydroxy-2,6,8-trimethyldeca-4,6-dienamido]acetamido}butanamido]but-2-enamido}-3,4-dimethylpentanediamide

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(2S,3S,4R)-N-[(4R,7R,13S,16R,19S,25aS)-16-[(1S)-1-hydroxyethyl]-19-[(4-hydroxyphenyl)(methoxy)methyl]-7-(methoxymethyl)-13-methyl-1,5,8,11,14,17,20-heptaoxo-3-(propan-2-yl)-tetracosahydropyrido[2,1-c]1-oxa-4,7,10,13,16,19-hexaazacyclodocosan-4-yl]-2-{2-[(2R,3S)-3-hydroxy-2-{2-[(4Z,6E)-3-hydroxy-2,6,8-trimethyldeca-4,6-dienamido]acetamido}butanamido]but-2-enamido}-3,4-dimethylpentanediamide 结构式
Primary record

(2S,3S,4R)-N-[(4R,7R,13S,16R,19S,25aS)-16-[(1S)-1-hydroxyethyl]-19-[(4-hydroxyphenyl)(methoxy)methyl]-7-(methoxymethyl)-13-methyl-1,5,8,11,14,17,20-heptaoxo-3-(propan-2-yl)-tetracosahydropyrido[2,1-c]1-oxa-4,7,10,13,16,19-hexaazacyclodocosan-4-yl]-2-{2-[(2R,3S)-3-hydroxy-2-{2-[(4Z,6E)-3-hydroxy-2,6,8-trimethyldeca-4,6-dienamido]acetamido}butanamido]but-2-enamido}-3,4-dimethylpentanediamide

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177436162
SMILES
CCC(C)/C=C(\C)/C=C\C(C(C)C(=O)NCC(=O)N[C@H]([C@H](C)O)C(=O)N/C(=C\C)/C(=O)N[C@@H]([C@@H](C)[C@@H](C)C(=O)N)C(=O)N[C@@H]1C(OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)CNC(=O)C(NC1=O)COC)C)[C@H](C)O)C(C3=CC=C(C=C3)O)OC)C(C)C)O
Canonical SMILES
C/C=C(\NC(=O)[C@H](NC(=O)CNC(=O)C(C)C(O)/C=C\C(C)=C\C(C)CC)[C@H](C)O)C(=O)N[C@H](C(=O)N[C@H]1C(=O)NC(COC)C(=O)NCC(=O)N[C@@H](C)C(=O)NC([C@H](C)O)C(=O)N[C@@H](C(OC)c2ccc(O)cc2)C(=O)N2CCCC[C@H]2C(=O)OC1C(C)C)[C@@H](C)[C@@H](C)C(N)=O

名称与同义词

  • Papuamide F
  • J3.009.939G
  • (2S,3S,4R)-N-[(4R,7R,13S,16R,19S,25aS)-16-[(1S)-1-hydroxyethyl]-19-[(4-hydroxyphenyl)(methoxy)methyl]-7-(methoxymethyl)-13-methyl-1,5,8,11,14,17,20-heptaoxo-3-(propan-2-yl)-tetracosahydropyrido[2,1-c]1-oxa-4,7,10,13,16,19-hexaazacyclodocosan-4-yl]-2-{2-[(2R,3S)-3-hydroxy-2-{2-[(4Z,6E)-3-hydroxy-2,6,8-trimethyldeca-4,6-dienamido]acetamido}butanamido]but-2-enamido}-3,4-dimethylpentanediamide
  • Cyclo[Gly-L-Ala-D-Thr-beta-methoxy-L-Tyr-L-Hpr-[N-[N-[(4Z,6E)-1-oxo-2,6,8-trimethyl-3-hydroxy-4,6-decadienyl]-Gly-D-Thr-3-methyl-deltaAla-[(3S,4R)-3,4-dimethyl-L-Gln-]]-3-hydroxy*-D-Leu-]-3-methoxy-D-Ala-]