Chemical Compound

(4R)-4-[[(2S)-2-[[2-[(1S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazole-5-carbonyl]amino]-4-methylpentanoyl]amino]-5-[[(2S)-1-[[(3S,6R,9S,12R,15S,18R,21S)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-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-heptazacyclopentacos-21-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

CAS Registry Number 22601-59-8
(4R)-4-[[(2S)-2-[[2-[(1S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazole-5-carbonyl]amino]-4-methylpentanoyl]amino]-5-[[(2S)-1-[[(3S,6R,9S,12R,15S,18R,21S)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-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-heptazacyclopentacos-21-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid 结构式
Primary record

(4R)-4-[[(2S)-2-[[2-[(1S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazole-5-carbonyl]amino]-4-methylpentanoyl]amino]-5-[[(2S)-1-[[(3S,6R,9S,12R,15S,18R,21S)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-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-heptazacyclopentacos-21-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

库存
3,416 克
纯度
99.4 %
CAS
22601-59-8

化合物标识与属性

CAS
22601-59-8
PubChem CID
439542
SMILES
CCC(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)NCCCC[C@@H](C(=O)N[C@@H](C(=O)N1)CCCN)NC(=O)[C@H](C(C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C2CN=C(S2)[C@H](C(C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4
Canonical SMILES
CCC(C)[C@H](N)C1=NCC(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C(C)CC)NC(=O)[C@@H](CCCN)NC2=O)C(C)CC)S1

名称与同义词

  • Bacitracin A
  • bacitracin
  • Topitracin
  • Altracin
  • Bacitracin zinc
  • Bacillichin
  • Bacilliquin
  • Parentracin
  • Penitracin
  • Tropitracin
  • Baciguent
  • Fortracin
  • Zutracin
  • Agfivin
  • Ayfivin
  • Baciim
  • Bacitracin A2a
  • Ayfivin-deuterated
  • Altracin-deuterated
  • Zutracin-deuterated
  • Baciguent-deuterated
  • Fortracin-deuterated
  • Penitracin-deuterated
  • Topitracin-deuterated
  • Bacitracin Deuterated
  • Bacillichin-deuterated
  • Bacilliquin-deuterated
  • Parentracin-deuterated
  • Tropitracin-deuterated
  • Bacitracin A (8CI)
  • Bacitracin (>80%)
  • Bacitracin A1 (9CI)
  • AC1L97K2
  • SCHEMBL1059374
  • SCHEMBL4352461
  • Bacitracin Bacillus licheniformis
  • CHEMBL1237057
  • CID439542
  • SC-12650
  • (4R)-4-[[(2S)-2-[[2-[(1S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazole-5-carbonyl]amino]-4-methylpentanoyl]amino]-5-[[(2S)-1-[[(3S,6R,9S,12R,15S,18R,21S)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-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-heptazacyclopentacos-21-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
  • 22601-59-8
  • 1405-87-4
  • 1,4,7,10,13,16,19-Heptaazacyclopentacosane, cyclic peptide deriv.
  • (4R)-4-[[(2S)-2-[[2-[(1S)-1-amino-2-methyl-butyl]-4,5-dihydrothiazole-5-carbonyl]amino]-4-methyl-pentanoyl]amino]-5-[[(1S)-1-[[(3S,6R,9S,12R,15S,18R,21S)-3-(2-amino-2-oxo-ethyl)-18-(3-aminopropyl)-12-benzyl-6-(carboxymethyl)-9-(1H-imidazol-4-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-15-sec-butyl-1,4,7,10,13,16,19-heptazacyclopentacos-21-yl]carbamoyl]-2-methyl-butyl]amino]-5-oxo-pentanoic acid
  • 1-[N-[[2-(1-Amino-2-methylbutyl)-4,5-dihydro-4-thiazolyl]carbonyl]-L-leucine]-Bacitracin F
  • N-[[(4R)-2-[(1S,2S)-1-Amino-2-methylbutyl]-4,5-dihydro-4-thiazolyl]carbonyl]-L-leucyl-D-|A-glutamyl-L-isoleucyl-L-lysyl-D-ornithyl-L-isoleucyl-D-phenylalanyl-L-histidyl-D-|A-aspartyl-L-asparagine (10 inverted exclamation marku4)-Lactam
  • N-[[(4R)-2-[(1S,2S)-1-Amino-2-methylbutyl]-4,5-dihydro-4-thiazolyl]carbonyl]-L-leucyl-D-|A-glutamyl-L-isoleucyl-L-lysyl-D-ornithyl-L-isoleucyl-D-phenylalanyl-L-histidyl-D-|A-aspartyl-L-asparagine (10 inverted exclamation marku4)-Lactam Deuterated