Chemical Compound

(2S)-2-{[(3S,6S,9S,12S,15S,16S,23S,26S,31aS)-23-[(2S)-5-carbamimidamido-2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-acetamido-3-hydroxybutanamido]propanamido]-3-hydroxybutanamido]pentanamido]-6-(carboxymethyl)-16-hydroxy-3-(hydroxymethyl)-26-[(4-hydroxyphenyl)methyl]-9-[(1H-indol-3-yl)methyl]-12-(3-methoxy-3-oxopropyl)-1,4,7,10,13,17,24,27-octaoxo-triacontahydro-1H-pyrrolo[1,2-d]1,4,7,10,13,16,19,23-octaazacyclononacosan-15-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid

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(2S)-2-{[(3S,6S,9S,12S,15S,16S,23S,26S,31aS)-23-[(2S)-5-carbamimidamido-2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-acetamido-3-hydroxybutanamido]propanamido]-3-hydroxybutanamido]pentanamido]-6-(carboxymethyl)-16-hydroxy-3-(hydroxymethyl)-26-[(4-hydroxyphenyl)methyl]-9-[(1H-indol-3-yl)methyl]-12-(3-methoxy-3-oxopropyl)-1,4,7,10,13,17,24,27-octaoxo-triacontahydro-1H-pyrrolo[1,2-d]1,4,7,10,13,16,19,23-octaazacyclononacosan-15-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid 结构式
Primary record

(2S)-2-{[(3S,6S,9S,12S,15S,16S,23S,26S,31aS)-23-[(2S)-5-carbamimidamido-2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-acetamido-3-hydroxybutanamido]propanamido]-3-hydroxybutanamido]pentanamido]-6-(carboxymethyl)-16-hydroxy-3-(hydroxymethyl)-26-[(4-hydroxyphenyl)methyl]-9-[(1H-indol-3-yl)methyl]-12-(3-methoxy-3-oxopropyl)-1,4,7,10,13,17,24,27-octaoxo-triacontahydro-1H-pyrrolo[1,2-d]1,4,7,10,13,16,19,23-octaazacyclononacosan-15-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177531450
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC1CCCCNC(=O)[C@H](C(NC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC1=O)CC3=CC=C(C=C3)O)CO)CC(=O)O)CC4=CNC5=CC=CC=C54)CCC(=O)OC)C(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)O)O)NC(=O)C)O
Canonical SMILES
COC(=O)CCC1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)C(CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)CCCCNC(=O)[C@@H](O)C(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC1=O

名称与同义词

  • Microviridin SD-1684
  • J2.337.404H
  • (2S)-2-{[(3S,6S,9S,12S,15S,16S,23S,26S,31aS)-23-[(2S)-5-carbamimidamido-2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-acetamido-3-hydroxybutanamido]propanamido]-3-hydroxybutanamido]pentanamido]-6-(carboxymethyl)-16-hydroxy-3-(hydroxymethyl)-26-[(4-hydroxyphenyl)methyl]-9-[(1H-indol-3-yl)methyl]-12-(3-methoxy-3-oxopropyl)-1,4,7,10,13,17,24,27-octaoxo-triacontahydro-1H-pyrrolo[1,2-d]1,4,7,10,13,16,19,23-octaazacyclononacosan-15-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid
  • Nalpha-[Ac-Thr-L-Ala-L-Thr-L-Arg-]Cyclo[L-Lys*-L-Tyr-L-Pro-L-Ser-L-Asp-L-Trp-5-oxo-5-methoxy-L-Nva-[(2S,3S)-2-hydroxy-3-[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl-betaAla-]-]