Chemical Compound

(4R)-4-[(2S)-2-{[(4R)-2-[(1S)-1-amino-2-methylpropyl]-4,5-dihydro-1,3-thiazol-4-yl]formamido}-4-methylpentanamido]-4-{[(2S,3S)-1-[(2S,5R,8S,11R,14S,17R,20S)-2-(4-aminobutyl)-5-(3-aminopropyl)-11-benzyl-8-[(2S)-butan-2-yl]-20-(carbamoylmethyl)-17-(carboxymethyl)-14-[(1H-imidazol-4-yl)methyl]-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptaazacyclohenicosan-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}butanoic acid

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(4R)-4-[(2S)-2-{[(4R)-2-[(1S)-1-amino-2-methylpropyl]-4,5-dihydro-1,3-thiazol-4-yl]formamido}-4-methylpentanamido]-4-{[(2S,3S)-1-[(2S,5R,8S,11R,14S,17R,20S)-2-(4-aminobutyl)-5-(3-aminopropyl)-11-benzyl-8-[(2S)-butan-2-yl]-20-(carbamoylmethyl)-17-(carboxymethyl)-14-[(1H-imidazol-4-yl)methyl]-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptaazacyclohenicosan-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}butanoic acid 结构式
Primary record

(4R)-4-[(2S)-2-{[(4R)-2-[(1S)-1-amino-2-methylpropyl]-4,5-dihydro-1,3-thiazol-4-yl]formamido}-4-methylpentanamido]-4-{[(2S,3S)-1-[(2S,5R,8S,11R,14S,17R,20S)-2-(4-aminobutyl)-5-(3-aminopropyl)-11-benzyl-8-[(2S)-butan-2-yl]-20-(carbamoylmethyl)-17-(carboxymethyl)-14-[(1H-imidazol-4-yl)methyl]-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptaazacyclohenicosan-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}butanoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177403968
SMILES
CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@@H](C(=O)N1)CCCN)CCCCN)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSC(=N2)[C@H](C(C)C)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCN)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSC([C@@H](N)C(C)C)=N2)[C@@H](C)CC)C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](Cc2ccccc2)NC1=O

名称与同义词

  • Bacitracin B1
  • J632.083J
  • (4R)-4-[(2S)-2-{[(4R)-2-[(1S)-1-amino-2-methylpropyl]-4,5-dihydro-1,3-thiazol-4-yl]formamido}-4-methylpentanamido]-4-{[(2S,3S)-1-[(2S,5R,8S,11R,14S,17R,20S)-2-(4-aminobutyl)-5-(3-aminopropyl)-11-benzyl-8-[(2S)-butan-2-yl]-20-(carbamoylmethyl)-17-(carboxymethyl)-14-[(1H-imidazol-4-yl)methyl]-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptaazacyclohenicosan-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}butanoic acid
  • N2-[N-[[[(4R)-4,5-Dihydro-2-[(S)-1-amino-2-methylpropyl]thiazol]-4-yl]carbonyl]-L-Leu-D-Glu-L-Ile-]cyclo(L-Lys-D-Orn-L-Ile-D-Phe-L-His-D-Asp-L-Asn-)