Chemical Compound

(4R)-4-[[(2S)-2-[[(4R)-2-[(1S,2S)-1-Amino-2-methylbutyl]-(4,5-dihydrothiazol)-4-yl]carbonyl]amino-4-methylpentanoyl]amino]-5-[[(2S,3S)-1-[[(3S,6R,9S,12R,15S,18R,21S)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-[(2S)-butan-2-yl]-6-(carboxymethyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacos-21-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

CAS Registry Number 1405-87-4
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(4R)-4-[[(2S)-2-[[(4R)-2-[(1S,2S)-1-Amino-2-methylbutyl]-(4,5-dihydrothiazol)-4-yl]carbonyl]amino-4-methylpentanoyl]amino]-5-[[(2S,3S)-1-[[(3S,6R,9S,12R,15S,18R,21S)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-[(2S)-butan-2-yl]-6-(carboxymethyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacos-21-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid 结构式
Primary record

(4R)-4-[[(2S)-2-[[(4R)-2-[(1S,2S)-1-Amino-2-methylbutyl]-(4,5-dihydrothiazol)-4-yl]carbonyl]amino-4-methylpentanoyl]amino]-5-[[(2S,3S)-1-[[(3S,6R,9S,12R,15S,18R,21S)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-[(2S)-butan-2-yl]-6-(carboxymethyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacos-21-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

库存
8,360 克
纯度
98.8 %
CAS
1405-87-4

化合物标识与属性

CAS
1405-87-4
PubChem CID
165706073
SMILES
CC[C@H](C)[C@H]1C(=O)NC(C(=O)N[C@H](C(=O)N[C@@H](C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)N1)CCCN)NC(=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@@H](C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4
Canonical SMILES
CC[C@H](C)[C@H](N)C1=N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C(=O)NC2CCCCNC(=O)C(CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)C(Cc3ccccc3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)C(CCCN)NC2=O)[C@@H](C)CC)CS1

名称与同义词

  • bacitracin
  • Bacitracin A
  • EBC-27559
  • AKOS040733875
  • J286.255G
  • EN300-28266012
  • 1405-87-4
  • (4R)-4-[(2S)-2-{[(4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazol-4-yl]formamido}-4-methylpentanamido]-4-{[(1S,2S)-1-{[(3S,6R,9S,12R,15S,18R,21S)-18-(3-aminopropyl)-12-benzyl-15-[(2S)-butan-2-yl]-3-(carbamoylmethyl)-6-(carboxymethyl)-9-[(1H-imidazol-4-yl)methyl]-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosan-21-yl]carbamoyl}-2-methylbutyl]carbamoyl}butanoic acid
  • (4R)-4-[[(2S)-2-[[(4R)-2-[(1S,2S)-1-Amino-2-methylbutyl]-(4,5-dihydrothiazol)-4-yl]carbonyl]amino-4-methylpentanoyl]amino]-5-[[(2S,3S)-1-[[(3S,6R,9S,12R,15S,18R,21S)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-[(2S)-butan-2-yl]-6-(carboxymethyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacos-21-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
  • 1-[N-[[(4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-4-thiazolyl]carbonyl]-L-leucine]bacitracin F
  • N2-[N-[[[(4R)-2-[(1S,2S)-1-Amino-2-methylbutyl]-4,5-dihydrothiazol]-4-yl]carbonyl]-L-Leu-D-Glu-L-Ile-]cyclo(L-Lys*-D-Orn-L-Ile-D-Phe-L-His-D-Asp-L-Asn-)